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

Systemtic Name: phenacyl 4-[3-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-[3-[(3-cyano-6-isopropyl-2-pyridyl)sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(3-cyano-6-propan-2-yl-2-pyridinyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[3-(3-cyano-6-propan-2-ylpyridin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(3-cyano-6-isopropyl-2-pyridyl)thio]-2,5-diketo-pyrrolidino]benzoic acid phenacyl ester Formula: C28H23N3O5S MolecularWeight: 513.56432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23N3O5S/c1-17(2)22-13-10-20(15-29)26(30-22)37-24-14-25(33)31(27(24)34)21-11-8-19(9-12-21)28(35)36-16-23(32)18-6-4-3-5-7-18/h3-13,17,24H,14,16H2,1-2H3