phenacyl 2-(4-methylphenyl)sulfanylethanoate

Systemtic Name: phenacyl 2-(4-methylphenyl)sulfanylethanoate Openeye Name: phenacyl 2-(p-tolylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)thio]acetic acid phenacyl ester IUPAC Name: phenacyl 2-(4-methylphenyl)sulfanylacetate Traditional Name: 2-(p-tolylthio)acetic acid phenacyl ester Formula: C17H16O3S MolecularWeight: 300.37214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H16O3S/c1-13-7-9-15(10-8-13)21-12-17(19)20-11-16(18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3