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

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 4-[3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 4-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 4-[3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]-2,5-diketo-pyrrolidino]benzoic acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C33H25N3O7S MolecularWeight: 607.6325

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC(=O)C5=CC(=CC=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC(=O)C5=CC(=CC=C5)OC

InChI

InChI=1S/C33H25N3O7S/c1-41-25-13-8-20(9-14-25)27-15-10-23(18-34)31(35-27)44-29-17-30(38)36(32(29)39)24-11-6-21(7-12-24)33(40)43-19-28(37)22-4-3-5-26(16-22)42-2/h3-16,29H,17,19H2,1-2H3