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

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 2-[1-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-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-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-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-phenetyl-ethyl) ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)SC3CC(=O)N(C3=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)SC3CC(=O)N(C3=O)C

InChI

InChI=1S/C21H20N2O6S/c1-3-28-14-8-6-13(7-9-14)16(24)12-29-21(27)15-5-4-10-22-19(15)30-17-11-18(25)23(2)20(17)26/h4-10,17H,3,11-12H2,1-2H3