methyl (Z)-8-[(E)-1-methylsulfanyl-2-(2-oxidanylidenecyclopent-3-en-1-yl)ethenyl]tridec-7-enoate

Systemtic Name: methyl (Z)-8-[(E)-1-methylsulfanyl-2-(2-oxidanylidenecyclopent-3-en-1-yl)ethenyl]tridec-7-enoate Openeye Name: methyl (Z)-8-[(E)-1-methylsulfanyl-2-(2-oxocyclopent-3-en-1-yl)vinyl]tridec-7-enoate CAS Name: (Z)-8-[(E)-1-(methylthio)-2-(2-oxo-1-cyclopent-3-enyl)ethenyl]-7-tridecenoic acid methyl ester IUPAC Name: methyl (Z)-8-[(E)-1-methylsulfanyl-2-(2-oxocyclopent-3-en-1-yl)ethenyl]tridec-7-enoate Traditional Name: (7Z,9E)-8-amyl-10-(2-ketocyclopent-3-en-1-yl)-9-(methylthio)deca-7,9-dienoic acid methyl ester Formula: C22H34O3S MolecularWeight: 378.56856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CCCCCCC(=O)OC)C(=CC1CC=CC1=O)SC

Isomeric SMILES

CCCCC/C(=C/CCCCCC(=O)OC)/C(=C\C1CC=CC1=O)/SC

InChI

InChI=1S/C22H34O3S/c1-4-5-8-12-18(13-9-6-7-10-16-22(24)25-2)21(26-3)17-19-14-11-15-20(19)23/h11,13,15,17,19H,4-10,12,14,16H2,1-3H3/b18-13-,21-17+