methyl 3,3-dimethoxy-2-[2-(phenylmethylsulfanyl)phenyl]propanoate

Systemtic Name: methyl 3,3-dimethoxy-2-[2-(phenylmethylsulfanyl)phenyl]propanoate Openeye Name: methyl 2-(2-benzylsulfanylphenyl)-3,3-dimethoxy-propanoate CAS Name: 3,3-dimethoxy-2-[2-(phenylmethylthio)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-(2-benzylsulfanylphenyl)-3,3-dimethoxypropanoate Traditional Name: 2-[2-(benzylthio)phenyl]-3,3-dimethoxy-propionic acid methyl ester Formula: C19H22O4S MolecularWeight: 346.44058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(C(C1=CC=CC=C1SCC2=CC=CC=C2)C(=O)OC)OC

Isomeric SMILES

COC(C(C1=CC=CC=C1SCC2=CC=CC=C2)C(=O)OC)OC

InChI

InChI=1S/C19H22O4S/c1-21-18(20)17(19(22-2)23-3)15-11-7-8-12-16(15)24-13-14-9-5-4-6-10-14/h4-12,17,19H,13H2,1-3H3