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

Systemtic Name: methyl 2-acetyloxy-4-[3-cyclohexylsulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: methyl 2-acetoxy-4-(3-cyclohexylsulfanyl-2,5-dioxo-pyrrolidin-1-yl)benzoate CAS Name: 2-acetyloxy-4-[3-(cyclohexylthio)-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 2-acetyloxy-4-(3-cyclohexylsulfanyl-2,5-dioxopyrrolidin-1-yl)benzoate Traditional Name: 2-acetoxy-4-[3-(cyclohexylthio)-2,5-diketo-pyrrolidino]benzoic acid methyl ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)N2C(=O)CC(C2=O)SC3CCCCC3)C(=O)OC

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)N2C(=O)CC(C2=O)SC3CCCCC3)C(=O)OC

InChI

InChI=1S/C20H23NO6S/c1-12(22)27-16-10-13(8-9-15(16)20(25)26-2)21-18(23)11-17(19(21)24)28-14-6-4-3-5-7-14/h8-10,14,17H,3-7,11H2,1-2H3