phenacyl 4-[3-cyclohexylsulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: phenacyl 4-[3-cyclohexylsulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-(3-cyclohexylsulfanyl-2,5-dioxo-pyrrolidin-1-yl)benzoate CAS Name: 4-[3-(cyclohexylthio)-2,5-dioxo-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-(3-cyclohexylsulfanyl-2,5-dioxopyrrolidin-1-yl)benzoate Traditional Name: 4-[3-(cyclohexylthio)-2,5-diketo-pyrrolidino]benzoic acid phenacyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25NO5S/c27-21(17-7-3-1-4-8-17)16-31-25(30)18-11-13-19(14-12-18)26-23(28)15-22(24(26)29)32-20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20,22H,2,5-6,9-10,15-16H2