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

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 4-[3-[3-cyano-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] 4-[3-[[3-cyano-6-(4-fluorophenyl)-2-pyridyl]sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[[3-cyano-6-(4-fluorophenyl)-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-6-(4-fluorophenyl)pyridin-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[[3-cyano-6-(4-fluorophenyl)-2-pyridyl]thio]-2,5-diketo-pyrrolidino]benzoic acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C33H24FN3O6S MolecularWeight: 609.623563

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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=C(C=CC(=N4)C5=CC=C(C=C5)F)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=C(C=CC(=N4)C5=CC=C(C=C5)F)C#N

InChI

InChI=1S/C33H24FN3O6S/c1-2-42-26-14-7-21(8-15-26)28(38)19-43-33(41)22-5-12-25(13-6-22)37-30(39)17-29(32(37)40)44-31-23(18-35)9-16-27(36-31)20-3-10-24(34)11-4-20/h3-16,29H,2,17,19H2,1H3