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

Systemtic Name: methyl (7E)-7-[3-methylsulfanyl-5-[(E)-oct-1-enyl]-2-oxidanylidene-cyclopent-3-en-1-ylidene]heptanoate Openeye Name: methyl (7E)-7-[3-methylsulfanyl-5-[(E)-oct-1-enyl]-2-oxo-cyclopent-3-en-1-ylidene]heptanoate CAS Name: (7E)-7-[3-(methylthio)-5-[(E)-oct-1-enyl]-2-oxo-1-cyclopent-3-enylidene]heptanoic acid methyl ester IUPAC Name: methyl (7E)-7-[3-methylsulfanyl-5-[(E)-oct-1-enyl]-2-oxocyclopent-3-en-1-ylidene]heptanoate Traditional Name: (7E)-7-[2-keto-3-(methylthio)-5-[(E)-oct-1-enyl]cyclopent-3-en-1-ylidene]enanthic acid methyl ester Formula: C22H34O3S MolecularWeight: 378.56856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1C=C(C(=O)C1=CCCCCCC(=O)OC)SC

Isomeric SMILES

CCCCCC/C=C/C\1C=C(C(=O)/C1=C/CCCCCC(=O)OC)SC

InChI

InChI=1S/C22H34O3S/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/h11,14-15,17-18H,4-10,12-13,16H2,1-3H3/b14-11+,19-15+