(2-benzamido-2-oxidanylidene-ethyl) 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid (2-benzamido-2-keto-ethyl) ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H18N2O4S/c1-15-9-11-17(12-10-15)29-21-18(8-5-13-23-21)22(27)28-14-19(25)24-20(26)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,24,25,26)