(3-methyl-2-phenylsulfanyl-but-3-enyl) ethanoate

Systemtic Name: (3-methyl-2-phenylsulfanyl-but-3-enyl) ethanoate Openeye Name: (3-methyl-2-phenylsulfanyl-but-3-enyl) acetate CAS Name: acetic acid [3-methyl-2-(phenylthio)but-3-enyl] ester IUPAC Name: (3-methyl-2-phenylsulfanylbut-3-enyl) acetate Traditional Name: acetic acid [3-methyl-2-(phenylthio)but-3-enyl] ester Formula: C13H16O2S MolecularWeight: 236.32994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(COC(=O)C)SC1=CC=CC=C1

Isomeric SMILES

CC(=C)C(COC(=O)C)SC1=CC=CC=C1

InChI

InChI=1S/C13H16O2S/c1-10(2)13(9-15-11(3)14)16-12-7-5-4-6-8-12/h4-8,13H,1,9H2,2-3H3