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

Systemtic Name: (phenylmethyl) (E,2S)-2-methyl-2-(3-oxidanylidenepropylsulfanyl)hept-3-enoate Openeye Name: benzyl (E,2S)-2-methyl-2-(3-oxopropylsulfanyl)hept-3-enoate CAS Name: (E,2S)-2-methyl-2-(3-oxopropylthio)-3-heptenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,2S)-2-methyl-2-(3-oxopropylsulfanyl)hept-3-enoate Traditional Name: (E,2S)-2-(3-ketopropylthio)-2-methyl-hept-3-enoic acid benzyl ester Formula: C18H24O3S MolecularWeight: 320.44636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24O3S/c1-3-4-8-12-18(2,22-14-9-13-19)17(20)21-15-16-10-6-5-7-11-16/h5-8,10-13H,3-4,9,14-15H2,1-2H3/b12-8+/t18-/m0/s1