[2-(2-chlorophenyl)-2-oxidanylidene-ethyl] 4-[3-[3-cyano-6-(2-methoxyphenyl)pyridin-2-yl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: [2-(2-chlorophenyl)-2-oxidanylidene-ethyl] 4-[3-[3-cyano-6-(2-methoxyphenyl)pyridin-2-yl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: [2-(2-chlorophenyl)-2-oxo-ethyl] 4-[3-[[3-cyano-6-(2-methoxyphenyl)-2-pyridyl]sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[[3-cyano-6-(2-methoxyphenyl)-2-pyridinyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid [2-(2-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenyl)-2-oxoethyl] 4-[3-[3-cyano-6-(2-methoxyphenyl)pyridin-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[[3-cyano-6-(2-methoxyphenyl)-2-pyridyl]thio]-2,5-diketo-pyrrolidino]benzoic acid [2-(2-chlorophenyl)-2-keto-ethyl] ester Formula: C32H22ClN3O6S MolecularWeight: 612.05158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=C(C=C2)C#N)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC(=O)C5=CC=CC=C5Cl

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=C(C=C2)C#N)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C32H22ClN3O6S/c1-41-27-9-5-3-7-23(27)25-15-12-20(17-34)30(35-25)43-28-16-29(38)36(31(28)39)21-13-10-19(11-14-21)32(40)42-18-26(37)22-6-2-4-8-24(22)33/h2-15,28H,16,18H2,1H3