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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=C(C=CC(=N4)C5=CC(=CC=C5)OC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=C(C=CC(=N4)C5=CC(=CC=C5)OC)C#N

InChI

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