(2S)-3-methyl-2-(phenylmethylsulfanyl)butanoic acid

Systemtic Name: (2S)-3-methyl-2-(phenylmethylsulfanyl)butanoic acid Openeye Name: (2S)-2-benzylsulfanyl-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-(phenylmethylthio)butanoic acid IUPAC Name: (2S)-2-benzylsulfanyl-3-methylbutanoic acid Traditional Name: (2S)-2-(benzylthio)-3-methyl-butyric acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)O)SCC1=CC=CC=C1

InChI

InChI=1S/C12H16O2S/c1-9(2)11(12(13)14)15-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14)/t11-/m0/s1