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

Systemtic Name: 2-acetyloxy-4-[3-cyclohexylsulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid Openeye Name: 2-acetoxy-4-(3-cyclohexylsulfanyl-2,5-dioxo-pyrrolidin-1-yl)benzoic acid CAS Name: 2-acetyloxy-4-[3-(cyclohexylthio)-2,5-dioxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 2-acetyloxy-4-(3-cyclohexylsulfanyl-2,5-dioxopyrrolidin-1-yl)benzoic acid Traditional Name: 2-acetoxy-4-[3-(cyclohexylthio)-2,5-diketo-pyrrolidino]benzoic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO6S/c1-11(21)26-15-9-12(7-8-14(15)19(24)25)20-17(22)10-16(18(20)23)27-13-5-3-2-4-6-13/h7-9,13,16H,2-6,10H2,1H3,(H,24,25)