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

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 4-[3-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 4-[3-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridinyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 4-[3-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]thio]-2,5-diketo-pyrrolidino]benzoic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C30H18ClN5O6S MolecularWeight: 612.01182

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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)Cl)SC4=C(C(=C(C(=N4)N)C#N)C5=CC=CO5)C#N

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl)SC4=C(C(=C(C(=N4)N)C#N)C5=CC=CO5)C#N

InChI

InChI=1S/C30H18ClN5O6S/c31-18-7-3-16(4-8-18)22(37)15-42-30(40)17-5-9-19(10-6-17)36-25(38)12-24(29(36)39)43-28-21(14-33)26(23-2-1-11-41-23)20(13-32)27(34)35-28/h1-11,24H,12,15H2,(H2,34,35)