[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 4-[3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 4-[3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 4-[3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 4-[3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2,5-diketo-pyrrolidino]benzoic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C35H26FN3O5S MolecularWeight: 619.661443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C3=CC=CC=C3)C=C(C(=N2)SC4CC(=O)N(C4=O)C5=CC=C(C=C5)C(=O)OCC(=O)C6=CC=C(C=C6)F)C#N

Isomeric SMILES

C1CC2=C(CC1C3=CC=CC=C3)C=C(C(=N2)SC4CC(=O)N(C4=O)C5=CC=C(C=C5)C(=O)OCC(=O)C6=CC=C(C=C6)F)C#N

InChI

InChI=1S/C35H26FN3O5S/c36-27-11-6-22(7-12-27)30(40)20-44-35(43)23-8-13-28(14-9-23)39-32(41)18-31(34(39)42)45-33-26(19-37)17-25-16-24(10-15-29(25)38-33)21-4-2-1-3-5-21/h1-9,11-14,17,24,31H,10,15-16,18,20H2