[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)C)C

InChI

InChI=1S/C24H24N2O3S/c1-4-18-8-5-7-17(3)22(18)26-21(27)15-29-24(28)20-9-6-14-25-23(20)30-19-12-10-16(2)11-13-19/h5-14H,4,15H2,1-3H3,(H,26,27)