(2-methylsulfanyl-4-propanoyl-phenyl) ethanoate

Systemtic Name: (2-methylsulfanyl-4-propanoyl-phenyl) ethanoate Openeye Name: (2-methylsulfanyl-4-propanoyl-phenyl) acetate CAS Name: acetic acid [2-(methylthio)-4-(1-oxopropyl)phenyl] ester IUPAC Name: (2-methylsulfanyl-4-propanoylphenyl) acetate Traditional Name: acetic acid [2-(methylthio)-4-propionyl-phenyl] ester Formula: C12H14O3S MolecularWeight: 238.30276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O3S/c1-4-10(14)9-5-6-11(15-8(2)13)12(7-9)16-3/h5-7H,4H2,1-3H3