2-(ethanoylsulfanylmethyl)-3-(2-methylphenyl)butanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-(2-methylphenyl)butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(o-tolyl)butanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(2-methylphenyl)butanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(2-methylphenyl)butanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(o-tolyl)butyric acid Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)C(CSC(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C)C(CSC(=O)C)C(=O)O

InChI

InChI=1S/C14H18O3S/c1-9-6-4-5-7-12(9)10(2)13(14(16)17)8-18-11(3)15/h4-7,10,13H,8H2,1-3H3,(H,16,17)