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

Systemtic Name: phenacyl 4-[3-[3-cyano-6-(3,4-dichlorophenyl)pyridin-2-yl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-[3-[[3-cyano-6-(3,4-dichlorophenyl)-2-pyridyl]sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[[3-cyano-6-(3,4-dichlorophenyl)-2-pyridinyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[3-[3-cyano-6-(3,4-dichlorophenyl)pyridin-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[[3-cyano-6-(3,4-dichlorophenyl)-2-pyridyl]thio]-2,5-diketo-pyrrolidino]benzoic acid phenacyl ester Formula: C31H19Cl2N3O5S MolecularWeight: 616.47066

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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=CC=C3)SC4=C(C=CC(=N4)C5=CC(=C(C=C5)Cl)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C31H19Cl2N3O5S/c32-23-12-8-20(14-24(23)33)25-13-9-21(16-34)29(35-25)42-27-15-28(38)36(30(27)39)22-10-6-19(7-11-22)31(40)41-17-26(37)18-4-2-1-3-5-18/h1-14,27H,15,17H2