methyl 3-(2,5-dimethylphenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(2,5-dimethylphenyl)sulfanylpropanoate Openeye Name: methyl 3-(2,5-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(2,5-dimethylphenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2,5-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(2,5-dimethylphenyl)thio]propionic acid methyl ester Formula: C12H16O2S MolecularWeight: 224.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCCC(=O)OC

InChI

InChI=1S/C12H16O2S/c1-9-4-5-10(2)11(8-9)15-7-6-12(13)14-3/h4-5,8H,6-7H2,1-3H3