[2-(4-fluorophenyl)-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-fluorophenyl)-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-(4-fluorophenyl)-2-oxo-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-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-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-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C32H20FN3O7S MolecularWeight: 609.580503

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=CC(=N4)C5=CC6=C(C=C5)OCO6)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=CC(=N4)C5=CC6=C(C=C5)OCO6)C#N

InChI

InChI=1S/C32H20FN3O7S/c33-22-7-1-18(2-8-22)25(37)16-41-32(40)19-3-9-23(10-4-19)36-29(38)14-28(31(36)39)44-30-21(15-34)5-11-24(35-30)20-6-12-26-27(13-20)43-17-42-26/h1-13,28H,14,16-17H2