[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 4-[3-(6-azanyl-3,5-dicyano-4-thiophen-3-yl-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-thiophen-3-yl-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-(3-thienyl)-2-pyridyl]sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[[6-amino-3,5-dicyano-4-(3-thiophenyl)-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-thiophen-3-ylpyridin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]thio]-2,5-diketo-pyrrolidino]benzoic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C30H18FN5O5S2 MolecularWeight: 611.622823

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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=CSC=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=CSC=C5)C#N

InChI

InChI=1S/C30H18FN5O5S2/c31-19-5-1-16(2-6-19)23(37)14-41-30(40)17-3-7-20(8-4-17)36-25(38)11-24(29(36)39)43-28-22(13-33)26(18-9-10-42-15-18)21(12-32)27(34)35-28/h1-10,15,24H,11,14H2,(H2,34,35)