[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(4-chlorophenyl)thio]-3-pyridinecarboxylic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(4-chlorophenyl)thio]nicotinic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClN2O3S/c1-14-5-2-3-7-18(14)24-19(25)13-27-21(26)17-6-4-12-23-20(17)28-16-10-8-15(22)9-11-16/h2-12H,13H2,1H3,(H,24,25)