2,3-dihydro-1H-inden-1-yl 1-(4-acetyloxyphenyl)-6-(1-benzothiophen-2-yl)-4-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: 2,3-dihydro-1H-inden-1-yl 1-(4-acetyloxyphenyl)-6-(1-benzothiophen-2-yl)-4-oxidanylidene-pyridine-3-carboxylate Openeye Name: indan-1-yl 1-(4-acetoxyphenyl)-6-(benzothiophen-2-yl)-4-oxo-pyridine-3-carboxylate CAS Name: 1-(4-acetyloxyphenyl)-6-(1-benzothiophen-2-yl)-4-oxo-3-pyridinecarboxylic acid 2,3-dihydro-1H-inden-1-yl ester IUPAC Name: 2,3-dihydro-1H-inden-1-yl 1-(4-acetyloxyphenyl)-6-(1-benzothiophen-2-yl)-4-oxopyridine-3-carboxylate Traditional Name: 1-(4-acetoxyphenyl)-6-(benzothiophen-2-yl)-4-keto-nicotinic acid indan-1-yl ester Formula: C31H23NO5S MolecularWeight: 521.58302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)N2C=C(C(=O)C=C2C3=CC4=CC=CC=C4S3)C(=O)OC5CCC6=CC=CC=C56

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)N2C=C(C(=O)C=C2C3=CC4=CC=CC=C4S3)C(=O)OC5CCC6=CC=CC=C56

InChI

InChI=1S/C31H23NO5S/c1-19(33)36-23-13-11-22(12-14-23)32-18-25(31(35)37-28-15-10-20-6-2-4-8-24(20)28)27(34)17-26(32)30-16-21-7-3-5-9-29(21)38-30/h2-9,11-14,16-18,28H,10,15H2,1H3