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

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-[(1-oxoisothiochromene-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[oxo-(1-oxo-2-benzothiopyran-3-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[(1-oxoisothiochromene-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[(1-ketoisothiochromene-3-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H16FNO4S2 MolecularWeight: 453.505843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16FNO4S2/c1-2-29-22(27)19-17(13-7-9-15(24)10-8-13)12-30-21(19)25-20(26)18-11-14-5-3-4-6-16(14)23(28)31-18/h3-12H,2H2,1H3,(H,25,26)