methyl 7-[3-methylsulfanyl-5-[(E)-oct-1-enyl]-2-oxidanylidene-cyclopent-3-en-1-yl]heptanoate

Systemtic Name: methyl 7-[3-methylsulfanyl-5-[(E)-oct-1-enyl]-2-oxidanylidene-cyclopent-3-en-1-yl]heptanoate Openeye Name: methyl 7-[3-methylsulfanyl-5-[(E)-oct-1-enyl]-2-oxo-cyclopent-3-en-1-yl]heptanoate CAS Name: 7-[3-(methylthio)-5-[(E)-oct-1-enyl]-2-oxo-1-cyclopent-3-enyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[3-methylsulfanyl-5-[(E)-oct-1-enyl]-2-oxocyclopent-3-en-1-yl]heptanoate Traditional Name: 7-[2-keto-3-(methylthio)-5-[(E)-oct-1-enyl]cyclopent-3-en-1-yl]enanthic acid methyl ester Formula: C22H36O3S MolecularWeight: 380.58444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1C=C(C(=O)C1CCCCCCC(=O)OC)SC

Isomeric SMILES

CCCCCC/C=C/C1C=C(C(=O)C1CCCCCCC(=O)OC)SC

InChI

InChI=1S/C22H36O3S/c1-4-5-6-7-8-11-14-18-17-20(26-3)22(24)19(18)15-12-9-10-13-16-21(23)25-2/h11,14,17-19H,4-10,12-13,15-16H2,1-3H3/b14-11+