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

Systemtic Name: methyl 2-[3-methylsulfanyl-2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]heptanoate Openeye Name: methyl 2-[5-[(E)-3-hydroxyoct-1-enyl]-3-methylsulfanyl-2-oxo-cyclopent-3-en-1-yl]heptanoate CAS Name: 2-[5-[(E)-3-hydroxyoct-1-enyl]-3-(methylthio)-2-oxo-1-cyclopent-3-enyl]heptanoic acid methyl ester IUPAC Name: methyl 2-[5-[(E)-3-hydroxyoct-1-enyl]-3-methylsulfanyl-2-oxocyclopent-3-en-1-yl]heptanoate Traditional Name: 2-[5-[(E)-3-hydroxyoct-1-enyl]-2-keto-3-(methylthio)cyclopent-3-en-1-yl]enanthic acid methyl ester Formula: C22H36O4S MolecularWeight: 396.58384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C=C(C(=O)C1C(CCCCC)C(=O)OC)SC)O

Isomeric SMILES

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

InChI

InChI=1S/C22H36O4S/c1-5-7-9-11-17(23)14-13-16-15-19(27-4)21(24)20(16)18(22(25)26-3)12-10-8-6-2/h13-18,20,23H,5-12H2,1-4H3/b14-13+