(phenylmethyl) (E,2S)-2-methyl-2-(3-oxidanylidenepropylsulfanyl)oct-3-enoate

Systemtic Name: (phenylmethyl) (E,2S)-2-methyl-2-(3-oxidanylidenepropylsulfanyl)oct-3-enoate Openeye Name: benzyl (E,2S)-2-methyl-2-(3-oxopropylsulfanyl)oct-3-enoate CAS Name: (E,2S)-2-methyl-2-(3-oxopropylthio)-3-octenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,2S)-2-methyl-2-(3-oxopropylsulfanyl)oct-3-enoate Traditional Name: (E,2S)-2-(3-ketopropylthio)-2-methyl-oct-3-enoic acid benzyl ester Formula: C19H26O3S MolecularWeight: 334.47294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(C)(C(=O)OCC1=CC=CC=C1)SCCC=O

Isomeric SMILES

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

InChI

InChI=1S/C19H26O3S/c1-3-4-5-9-13-19(2,23-15-10-14-20)18(21)22-16-17-11-7-6-8-12-17/h6-9,11-14H,3-5,10,15-16H2,1-2H3/b13-9+/t19-/m0/s1