5-(2-ethanoylsulfanylpropan-2-yl)thiolane-3-carboxylic acid

Systemtic Name: 5-(2-ethanoylsulfanylpropan-2-yl)thiolane-3-carboxylic acid Openeye Name: 5-(1-acetylsulfanyl-1-methyl-ethyl)tetrahydrothiophene-3-carboxylic acid CAS Name: 5-[2-(acetylthio)propan-2-yl]-3-thiolanecarboxylic acid IUPAC Name: 5-(2-acetylsulfanylpropan-2-yl)thiolane-3-carboxylic acid Traditional Name: 5-[1-(acetylthio)-1-methyl-ethyl]tetrahydrothiophene-3-carboxylic acid Formula: C10H16O3S2 MolecularWeight: 248.36224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C)(C)C1CC(CS1)C(=O)O

Isomeric SMILES

CC(=O)SC(C)(C)C1CC(CS1)C(=O)O

InChI

InChI=1S/C10H16O3S2/c1-6(11)15-10(2,3)8-4-7(5-14-8)9(12)13/h7-8H,4-5H2,1-3H3,(H,12,13)