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

Systemtic Name: ethyl 7-[2-[2-methyl-3-(4-methylphenyl)-2-oxidanyl-propyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-[2-hydroxy-2-methyl-3-(p-tolyl)propyl]sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[[2-hydroxy-2-methyl-3-(4-methylphenyl)propyl]thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-[2-hydroxy-2-methyl-3-(4-methylphenyl)propyl]sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[[2-hydroxy-2-methyl-3-(p-tolyl)propyl]thio]-5-keto-cyclopentyl]enanthic acid ethyl ester Formula: C25H38O4S MolecularWeight: 434.63182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38O4S/c1-4-29-24(27)10-8-6-5-7-9-21-22(26)15-16-23(21)30-18-25(3,28)17-20-13-11-19(2)12-14-20/h11-14,21,23,28H,4-10,15-18H2,1-3H3