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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-[3-[6-(1,3-benzodioxol-5-yl)-3-cyano-pyridin-2-yl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 4-[3-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 4-[3-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]thio]-2,5-diketo-pyrrolidino]benzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C33H23N3O7S MolecularWeight: 605.61662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=C(C=CC(=N4)C5=CC6=C(C=C5)OCO6)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=C(C=CC(=N4)C5=CC6=C(C=C5)OCO6)C#N

InChI

InChI=1S/C33H23N3O7S/c1-19-2-4-20(5-3-19)26(37)17-41-33(40)21-6-10-24(11-7-21)36-30(38)15-29(32(36)39)44-31-23(16-34)8-12-25(35-31)22-9-13-27-28(14-22)43-18-42-27/h2-14,29H,15,17-18H2,1H3