(phenylmethyl) (E,2S)-2-ethanoylsulfanyl-2-methyl-hex-3-enoate

Systemtic Name: (phenylmethyl) (E,2S)-2-ethanoylsulfanyl-2-methyl-hex-3-enoate Openeye Name: benzyl (E,2S)-2-acetylsulfanyl-2-methyl-hex-3-enoate CAS Name: (E,2S)-2-(acetylthio)-2-methyl-3-hexenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,2S)-2-acetylsulfanyl-2-methylhex-3-enoate Traditional Name: (E,2S)-2-(acetylthio)-2-methyl-hex-3-enoic acid benzyl ester Formula: C16H20O3S MolecularWeight: 292.3932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(C)(C(=O)OCC1=CC=CC=C1)SC(=O)C

Isomeric SMILES

CC/C=C/[C@@](C)(C(=O)OCC1=CC=CC=C1)SC(=O)C

InChI

InChI=1S/C16H20O3S/c1-4-5-11-16(3,20-13(2)17)15(18)19-12-14-9-7-6-8-10-14/h5-11H,4,12H2,1-3H3/b11-5+/t16-/m0/s1