1-(4-acetyloxyphenyl)-6-(1-benzothiophen-2-yl)-4-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-(4-acetyloxyphenyl)-6-(1-benzothiophen-2-yl)-4-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-(4-acetoxyphenyl)-6-(benzothiophen-2-yl)-4-oxo-pyridine-3-carboxylic acid CAS Name: 1-(4-acetyloxyphenyl)-6-(1-benzothiophen-2-yl)-4-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-(4-acetyloxyphenyl)-6-(1-benzothiophen-2-yl)-4-oxopyridine-3-carboxylic acid Traditional Name: 1-(4-acetoxyphenyl)-6-(benzothiophen-2-yl)-4-keto-nicotinic acid Formula: C22H15NO5S MolecularWeight: 405.4232

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H15NO5S/c1-13(24)28-16-8-6-15(7-9-16)23-12-17(22(26)27)19(25)11-18(23)21-10-14-4-2-3-5-20(14)29-21/h2-12H,1H3,(H,26,27)