3-ethanoylsulfanyl-2-(phenylmethyl)butanoic acid

Systemtic Name: 3-ethanoylsulfanyl-2-(phenylmethyl)butanoic acid Openeye Name: 3-acetylsulfanyl-2-benzyl-butanoic acid CAS Name: 3-(acetylthio)-2-(phenylmethyl)butanoic acid IUPAC Name: 3-acetylsulfanyl-2-benzylbutanoic acid Traditional Name: 3-(acetylthio)-2-benzyl-butyric acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC=C1)C(=O)O)SC(=O)C

Isomeric SMILES

CC(C(CC1=CC=CC=C1)C(=O)O)SC(=O)C

InChI

InChI=1S/C13H16O3S/c1-9(17-10(2)14)12(13(15)16)8-11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,15,16)