ethyl (3E,5E)-2-ethanoylsulfanyl-2,4-dimethyl-hepta-3,5-dienoate

Systemtic Name: ethyl (3E,5E)-2-ethanoylsulfanyl-2,4-dimethyl-hepta-3,5-dienoate Openeye Name: ethyl (3E,5E)-2-acetylsulfanyl-2,4-dimethyl-hepta-3,5-dienoate CAS Name: (3E,5E)-2-(acetylthio)-2,4-dimethylhepta-3,5-dienoic acid ethyl ester IUPAC Name: ethyl (3E,5E)-2-acetylsulfanyl-2,4-dimethylhepta-3,5-dienoate Traditional Name: (3E,5E)-2-(acetylthio)-2,4-dimethyl-hepta-3,5-dienoic acid ethyl ester Formula: C13H20O3S MolecularWeight: 256.3611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C=C(C)C=CC)SC(=O)C

Isomeric SMILES

CCOC(=O)C(C)(/C=C(\C)/C=C/C)SC(=O)C

InChI

InChI=1S/C13H20O3S/c1-6-8-10(3)9-13(5,17-11(4)14)12(15)16-7-2/h6,8-9H,7H2,1-5H3/b8-6+,10-9+