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

Systemtic Name: phenacyl 4-[3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-[3-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[3-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]-2,5-diketo-pyrrolidino]benzoic acid phenacyl ester Formula: C37H25N3O5S MolecularWeight: 623.6765

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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=CC=C5)C6=CC=CC=C6)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=CC=C5)C6=CC=CC=C6)C#N

InChI

InChI=1S/C37H25N3O5S/c38-22-30-29(24-10-4-1-5-11-24)20-31(25-12-6-2-7-13-25)39-35(30)46-33-21-34(42)40(36(33)43)28-18-16-27(17-19-28)37(44)45-23-32(41)26-14-8-3-9-15-26/h1-20,33H,21,23H2