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

Systemtic Name: phenacyl 4-[3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-[3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[3-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-2,5-diketo-pyrrolidino]benzoic acid phenacyl ester Formula: C27H21N3O5S MolecularWeight: 499.53774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C27H21N3O5S/c1-16-12-17(2)29-25(21(16)14-28)36-23-13-24(32)30(26(23)33)20-10-8-19(9-11-20)27(34)35-15-22(31)18-6-4-3-5-7-18/h3-12,23H,13,15H2,1-2H3