77697-23-5 Purity
95%
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The molecular formula is C18H17NO3S.
The synonyms are 7-(Diethylamino)-3-(thiophene-3-carbonyl)-2H-chromen-2-one, SCHEMBL51515, AKOS027314041, and AS-70724.
It has a molecular weight of 327.4 g/mol.
It was created on December 5, 2007.
It was last modified on October 21, 2023.
The IUPAC name is 7-(diethylamino)-3-(thiophene-3-carbonyl)chromen-2-one.
The InChI is InChI=1S/C18H17NO3S/c1-3-19(4-2)14-6-5-12-9-15(18(21)22-16(12)10-14)17(20)13-7-8-23-11-13/h5-11H,3-4H2,1-2H3.
The InChIKey is GDRWYGWOZQAYRI-UHFFFAOYSA-N.
The canonical SMILES is CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CSC=C3.
The topological polar surface area is 74.8Ų.