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

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 4-[3-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 4-[3-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 4-[3-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]-2,5-diketo-pyrrolidino]benzoic acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C34H27N3O5S MolecularWeight: 589.66028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C34H27N3O5S/c1-20-21(2)28(18-35)32(36-22(20)3)43-30-17-31(39)37(33(30)40)27-15-13-26(14-16-27)34(41)42-19-29(38)25-11-9-24(10-12-25)23-7-5-4-6-8-23/h4-16,30H,17,19H2,1-3H3