Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate

CAS

93921-16-5

Catalog Number

ACM93921165

Category

Other Products

Molecular Weight

377.842 g/mol

Molecular Formula

C₁₈H₁₆ClNO₄S

MSDS COA Spec Sheet

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Specification

Synonyms

Oprea1_046833, Oprea1_098320, MolPort-001-903-348, CID56716, ZINC04866197, BAS 01027134, 2-[4-(6-Chloro-benzothiazol-2-yloxy)-phenoxy]-propionic acid ethyl ester, 93921-16-5

IUPAC Name

ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate

Canonical SMILES

CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(S2)C=C(C=C3)Cl

InChI Key

HVCNNTAUBZIYCG-UHFFFAOYSA-N

Exact Mass

377.04900

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate?

The molecular formula of Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate is C18H16ClNO4S.

What is the molecular weight of Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate?

The molecular weight of Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate is 377.8 g/mol.

What is the IUPAC name of Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate?

The IUPAC name of Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate is ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate.

What is the InChI of Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate?

The InChI of Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate is InChI=1S/C18H16ClNO4S/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3.

What is the InChIKey of Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate?

The InChIKey of Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate is HVCNNTAUBZIYCG-UHFFFAOYSA-N.

What is the canonical SMILES of Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate?

The canonical SMILES of Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate is CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(S2)C=C(C=C3)Cl.

What is the CAS number of Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate?

The CAS number of Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate is 66441-11-0.

How many hydrogen bond donor counts are there in Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate?

There are 0 hydrogen bond donor counts in Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate.

How many hydrogen bond acceptor counts are there in Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate?

There are 6 hydrogen bond acceptor counts in Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate.

How many rotatable bond counts are there in Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate?

There are 7 rotatable bond counts in Ethyl 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanoate.