methyl 2-(4-dimethylaminophenyl)-2-methylsulfanyl-ethanoate

Systemtic Name: methyl 2-(4-dimethylaminophenyl)-2-methylsulfanyl-ethanoate Openeye Name: methyl 2-(4-dimethylaminophenyl)-2-methylsulfanyl-acetate CAS Name: 2-(4-dimethylaminophenyl)-2-(methylthio)acetic acid methyl ester IUPAC Name: methyl 2-(4-dimethylaminophenyl)-2-methylsulfanylacetate Traditional Name: 2-(4-dimethylaminophenyl)-2-(methylthio)acetic acid methyl ester Formula: C12H17NO2S MolecularWeight: 239.33388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C(=O)OC)SC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C(=O)OC)SC

InChI

InChI=1S/C12H17NO2S/c1-13(2)10-7-5-9(6-8-10)11(16-4)12(14)15-3/h5-8,11H,1-4H3