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

Systemtic Name: phenacyl 4-[3-(3-cyano-5-methyl-6-phenyl-pyridin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-[3-[(3-cyano-5-methyl-6-phenyl-2-pyridyl)sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(3-cyano-5-methyl-6-phenyl-2-pyridinyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[3-(3-cyano-5-methyl-6-phenylpyridin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(3-cyano-5-methyl-6-phenyl-2-pyridyl)thio]-2,5-diketo-pyrrolidino]benzoic acid phenacyl ester Formula: C32H23N3O5S MolecularWeight: 561.60712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C(C(=C1)C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H23N3O5S/c1-20-16-24(18-33)30(34-29(20)22-10-6-3-7-11-22)41-27-17-28(37)35(31(27)38)25-14-12-23(13-15-25)32(39)40-19-26(36)21-8-4-2-5-9-21/h2-16,27H,17,19H2,1H3