ethyl 7-[2-[3-(4-methylphenyl)-2-oxidanyl-propyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: ethyl 7-[2-[3-(4-methylphenyl)-2-oxidanyl-propyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-[2-hydroxy-3-(p-tolyl)propyl]sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[[2-hydroxy-3-(4-methylphenyl)propyl]thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-[2-hydroxy-3-(4-methylphenyl)propyl]sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[[2-hydroxy-3-(p-tolyl)propyl]thio]-5-keto-cyclopentyl]enanthic acid ethyl ester Formula: C24H36O4S MolecularWeight: 420.60524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(CC2=CC=C(C=C2)C)O

Isomeric SMILES

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(CC2=CC=C(C=C2)C)O

InChI

InChI=1S/C24H36O4S/c1-3-28-24(27)9-7-5-4-6-8-21-22(26)14-15-23(21)29-17-20(25)16-19-12-10-18(2)11-13-19/h10-13,20-21,23,25H,3-9,14-17H2,1-2H3