methyl 7-[2-[3-(3,4-dimethoxyphenyl)propyl]-4-methylsulfanyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-en-1-yl]-7-oxidanyl-heptanoate

Systemtic Name: methyl 7-[2-[3-(3,4-dimethoxyphenyl)propyl]-4-methylsulfanyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-en-1-yl]-7-oxidanyl-heptanoate Openeye Name: methyl 7-[2-[3-(3,4-dimethoxyphenyl)propyl]-2-hydroxy-4-methylsulfanyl-5-oxo-cyclopent-3-en-1-yl]-7-hydroxy-heptanoate CAS Name: 7-[2-[3-(3,4-dimethoxyphenyl)propyl]-2-hydroxy-4-(methylthio)-5-oxo-1-cyclopent-3-enyl]-7-hydroxyheptanoic acid methyl ester IUPAC Name: methyl 7-[2-[3-(3,4-dimethoxyphenyl)propyl]-2-hydroxy-4-methylsulfanyl-5-oxocyclopent-3-en-1-yl]-7-hydroxyheptanoate Traditional Name: 7-[2-[3-(3,4-dimethoxyphenyl)propyl]-2-hydroxy-5-keto-4-(methylthio)cyclopent-3-en-1-yl]-7-hydroxy-enanthic acid methyl ester Formula: C25H36O7S MolecularWeight: 480.61414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCC2(C=C(C(=O)C2C(CCCCCC(=O)OC)O)SC)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCCC2(C=C(C(=O)C2C(CCCCCC(=O)OC)O)SC)O)OC

InChI

InChI=1S/C25H36O7S/c1-30-19-13-12-17(15-20(19)31-2)9-8-14-25(29)16-21(33-4)24(28)23(25)18(26)10-6-5-7-11-22(27)32-3/h12-13,15-16,18,23,26,29H,5-11,14H2,1-4H3