ethyl 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: ethyl 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: ethyl 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid ethyl ester Formula: C13H18O2S MolecularWeight: 238.34582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=CC(=C(C=C1)C)C

Isomeric SMILES

CCOC(=O)CCSC1=CC(=C(C=C1)C)C

InChI

InChI=1S/C13H18O2S/c1-4-15-13(14)7-8-16-12-6-5-10(2)11(3)9-12/h5-6,9H,4,7-8H2,1-3H3