methyl 4-(2-ethanoylsulfanylethyl)benzoate

Systemtic Name: methyl 4-(2-ethanoylsulfanylethyl)benzoate Openeye Name: methyl 4-(2-acetylsulfanylethyl)benzoate CAS Name: 4-[2-(acetylthio)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-(2-acetylsulfanylethyl)benzoate Traditional Name: 4-[2-(acetylthio)ethyl]benzoic acid methyl ester Formula: C12H14O3S MolecularWeight: 238.30276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(=O)SCCC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C12H14O3S/c1-9(13)16-8-7-10-3-5-11(6-4-10)12(14)15-2/h3-6H,7-8H2,1-2H3