methyl 4-[(3E)-3-[4-methylsulfanyl-2-oxidanyl-5-oxidanylidene-2-(4-phenoxybutyl)cyclopent-3-en-1-ylidene]propyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[(3E)-3-[4-methylsulfanyl-2-oxidanyl-5-oxidanylidene-2-(4-phenoxybutyl)cyclopent-3-en-1-ylidene]propyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[(3E)-3-[2-hydroxy-4-methylsulfanyl-5-oxo-2-(4-phenoxybutyl)cyclopent-3-en-1-ylidene]propyl]cyclohexanecarboxylate CAS Name: 4-[(3E)-3-[2-hydroxy-4-(methylthio)-5-oxo-2-(4-phenoxybutyl)-1-cyclopent-3-enylidene]propyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[(3E)-3-[2-hydroxy-4-methylsulfanyl-5-oxo-2-(4-phenoxybutyl)cyclopent-3-en-1-ylidene]propyl]cyclohexane-1-carboxylate Traditional Name: 4-[(3E)-3-[2-hydroxy-5-keto-4-(methylthio)-2-(4-phenoxybutyl)cyclopent-3-en-1-ylidene]propyl]cyclohexanecarboxylic acid methyl ester Formula: C27H36O5S MolecularWeight: 472.63674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)CCC=C2C(=O)C(=CC2(CCCCOC3=CC=CC=C3)O)SC

Isomeric SMILES

COC(=O)C1CCC(CC1)CC/C=C\2/C(=O)C(=CC2(CCCCOC3=CC=CC=C3)O)SC

InChI

InChI=1S/C27H36O5S/c1-31-26(29)21-15-13-20(14-16-21)9-8-12-23-25(28)24(33-2)19-27(23,30)17-6-7-18-32-22-10-4-3-5-11-22/h3-5,10-12,19-21,30H,6-9,13-18H2,1-2H3/b23-12-