[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 4-[3-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 4-[3-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 4-[3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 4-[3-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]-2,5-diketo-pyrrolidino]benzoic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C32H20FN5O5S MolecularWeight: 605.595103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)F)SC4=C(C(=C(C(=N4)N)C#N)C5=CC=CC=C5)C#N

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)F)SC4=C(C(=C(C(=N4)N)C#N)C5=CC=CC=C5)C#N

InChI

InChI=1S/C32H20FN5O5S/c33-21-10-6-18(7-11-21)25(39)17-43-32(42)20-8-12-22(13-9-20)38-27(40)14-26(31(38)41)44-30-24(16-35)28(19-4-2-1-3-5-19)23(15-34)29(36)37-30/h1-13,26H,14,17H2,(H2,36,37)