2-(ethanoylsulfanylmethyl)-3-(4-methylphenyl)propanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-(4-methylphenyl)propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(p-tolyl)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(4-methylphenyl)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(4-methylphenyl)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(p-tolyl)propionic acid Formula: C13H16O3S MolecularWeight: 252.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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