2-(2-methyl-3-methylsulfanyl-phenyl)propanoate

Systemtic Name: 2-(2-methyl-3-methylsulfanyl-phenyl)propanoate Openeye Name: 2-(2-methyl-3-methylsulfanyl-phenyl)propanoate CAS Name: 2-[2-methyl-3-(methylthio)phenyl]propanoate IUPAC Name: 2-(2-methyl-3-methylsulfanylphenyl)propanoate Traditional Name: 2-[2-methyl-3-(methylthio)phenyl]propionate Formula: C11H13O2S- MolecularWeight: 209.28472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SC)C(C)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1SC)C(C)C(=O)[O-]

InChI

InChI=1S/C11H14O2S/c1-7-9(8(2)11(12)13)5-4-6-10(7)14-3/h4-6,8H,1-3H3,(H,12,13)/p-1