(3,5-dimethylphenyl) 2-phenylsulfanylethanoate

Systemtic Name: (3,5-dimethylphenyl) 2-phenylsulfanylethanoate Openeye Name: (3,5-dimethylphenyl) 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid (3,5-dimethylphenyl) ester Formula: C16H16O2S MolecularWeight: 272.36204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)CSC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)CSC2=CC=CC=C2)C

InChI

InChI=1S/C16H16O2S/c1-12-8-13(2)10-14(9-12)18-16(17)11-19-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3