(2S)-2-(ethanoylsulfanylmethyl)-3-(2-methylphenyl)propanoic acid

Systemtic Name: (2S)-2-(ethanoylsulfanylmethyl)-3-(2-methylphenyl)propanoic acid Openeye Name: (2S)-2-(acetylsulfanylmethyl)-3-(o-tolyl)propanoic acid CAS Name: (2S)-2-[(acetylthio)methyl]-3-(2-methylphenyl)propanoic acid IUPAC Name: (2S)-2-(acetylsulfanylmethyl)-3-(2-methylphenyl)propanoic acid Traditional Name: (2S)-2-[(acetylthio)methyl]-3-(o-tolyl)propionic acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CSC(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C[C@H](CSC(=O)C)C(=O)O

InChI

InChI=1S/C13H16O3S/c1-9-5-3-4-6-11(9)7-12(13(15)16)8-17-10(2)14/h3-6,12H,7-8H2,1-2H3,(H,15,16)/t12-/m1/s1