2-(3-ethanoylsulfanyl-3-methyl-butanoyl)cyclopentane-1-carboxylic acid

Systemtic Name: 2-(3-ethanoylsulfanyl-3-methyl-butanoyl)cyclopentane-1-carboxylic acid Openeye Name: 2-(3-acetylsulfanyl-3-methyl-butanoyl)cyclopentanecarboxylic acid CAS Name: 2-[3-(acetylthio)-3-methyl-1-oxobutyl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-(3-acetylsulfanyl-3-methylbutanoyl)cyclopentane-1-carboxylic acid Traditional Name: 2-[3-(acetylthio)-3-methyl-butanoyl]cyclopentanecarboxylic acid Formula: C13H20O4S MolecularWeight: 272.3605

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C)(C)CC(=O)C1CCCC1C(=O)O

Isomeric SMILES

CC(=O)SC(C)(C)CC(=O)C1CCCC1C(=O)O

InChI

InChI=1S/C13H20O4S/c1-8(14)18-13(2,3)7-11(15)9-5-4-6-10(9)12(16)17/h9-10H,4-7H2,1-3H3,(H,16,17)