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

Systemtic Name: ethyl 7-[2-[2-(4-methylphenyl)-2-oxidanyl-ethyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-[2-hydroxy-2-(p-tolyl)ethyl]sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[[2-hydroxy-2-(p-tolyl)ethyl]thio]-5-keto-cyclopentyl]enanthic acid ethyl ester Formula: C23H34O4S MolecularWeight: 406.57866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34O4S/c1-3-27-23(26)9-7-5-4-6-8-19-20(24)14-15-22(19)28-16-21(25)18-12-10-17(2)11-13-18/h10-13,19,21-22,25H,3-9,14-16H2,1-2H3