[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)O[C@H](C)C(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C23H19N3O3S/c1-15-9-11-18(12-10-15)30-22-19(7-5-13-25-22)23(28)29-16(2)21(27)26-20-8-4-3-6-17(20)14-24/h3-13,16H,1-2H3,(H,26,27)/t16-/m1/s1