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

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 4-[3-(3-cyano-5-methyl-6-phenyl-pyridin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] 4-[3-[(3-cyano-5-methyl-6-phenyl-2-pyridyl)sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(3-cyano-5-methyl-6-phenyl-2-pyridinyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] 4-[3-(3-cyano-5-methyl-6-phenylpyridin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(3-cyano-5-methyl-6-phenyl-2-pyridyl)thio]-2,5-diketo-pyrrolidino]benzoic acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C34H27N3O6S MolecularWeight: 605.65968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=NC(=C(C=C4C#N)C)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=NC(=C(C=C4C#N)C)C5=CC=CC=C5

InChI

InChI=1S/C34H27N3O6S/c1-3-42-27-15-11-22(12-16-27)28(38)20-43-34(41)24-9-13-26(14-10-24)37-30(39)18-29(33(37)40)44-32-25(19-35)17-21(2)31(36-32)23-7-5-4-6-8-23/h4-17,29H,3,18,20H2,1-2H3