[(E)-3-phenethylsulfanylprop-2-enyl] ethanoate

Systemtic Name: [(E)-3-phenethylsulfanylprop-2-enyl] ethanoate Openeye Name: [(E)-3-phenethylsulfanylallyl] acetate CAS Name: acetic acid [(E)-3-(phenethylthio)prop-2-enyl] ester IUPAC Name: [(E)-3-phenethylsulfanylprop-2-enyl] acetate Traditional Name: acetic acid [(E)-3-(phenethylthio)allyl] ester Formula: C13H16O2S MolecularWeight: 236.32994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC=CSCCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C13H16O2S/c1-12(14)15-9-5-10-16-11-8-13-6-3-2-4-7-13/h2-7,10H,8-9,11H2,1H3/b10-5+