[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[1-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[1-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-(1-methyl-2,5-dioxo-pyrrolidin-3-yl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(1-methyl-2,5-dioxo-3-pyrrolidinyl)thio]-3-pyridinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2,5-diketo-1-methyl-pyrrolidin-3-yl)thio]nicotinic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)SC3CC(=O)N(C3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)SC3CC(=O)N(C3=O)C

InChI

InChI=1S/C20H18N2O5S/c1-12-5-7-13(8-6-12)15(23)11-27-20(26)14-4-3-9-21-18(14)28-16-10-17(24)22(2)19(16)25/h3-9,16H,10-11H2,1-2H3