methyl (E)-7-[3-(2-hydroxyethylsulfanyl)-5-oxidanylidene-cyclopenten-1-yl]hept-5-enoate

Systemtic Name: methyl (E)-7-[3-(2-hydroxyethylsulfanyl)-5-oxidanylidene-cyclopenten-1-yl]hept-5-enoate Openeye Name: methyl (E)-7-[3-(2-hydroxyethylsulfanyl)-5-oxo-cyclopenten-1-yl]hept-5-enoate CAS Name: (E)-7-[3-(2-hydroxyethylthio)-5-oxo-1-cyclopentenyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[3-(2-hydroxyethylsulfanyl)-5-oxocyclopenten-1-yl]hept-5-enoate Traditional Name: (E)-7-[3-(2-hydroxyethylthio)-5-keto-cyclopenten-1-yl]hept-5-enoic acid methyl ester Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CCC1=CC(CC1=O)SCCO

Isomeric SMILES

COC(=O)CCC/C=C/CC1=CC(CC1=O)SCCO

InChI

InChI=1S/C15H22O4S/c1-19-15(18)7-5-3-2-4-6-12-10-13(11-14(12)17)20-9-8-16/h2,4,10,13,16H,3,5-9,11H2,1H3/b4-2+