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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid (2-anilino-2-keto-ethyl) ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3S/c1-15-9-11-17(12-10-15)27-20-18(8-5-13-22-20)21(25)26-14-19(24)23-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,23,24)