ethyl 2-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(1-oxoisothiochromene-3-carbonyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[oxo-(1-oxo-2-benzothiopyran-3-yl)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-oxoisothiochromene-3-carbonyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-ketoisothiochromene-3-carbonyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H17NO4S2 MolecularWeight: 435.51538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4C(=O)S3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4C(=O)S3

InChI

InChI=1S/C23H17NO4S2/c1-2-28-22(26)19-17(14-8-4-3-5-9-14)13-29-21(19)24-20(25)18-12-15-10-6-7-11-16(15)23(27)30-18/h3-13H,2H2,1H3,(H,24,25)