ethyl 7-[2-(3-methyl-2-oxidanyl-3-phenyl-butyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: ethyl 7-[2-(3-methyl-2-oxidanyl-3-phenyl-butyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-(2-hydroxy-3-methyl-3-phenyl-butyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[(2-hydroxy-3-methyl-3-phenylbutyl)thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-(2-hydroxy-3-methyl-3-phenylbutyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[(2-hydroxy-3-methyl-3-phenyl-butyl)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(C)(C)C2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C25H38O4S/c1-4-29-24(28)15-11-6-5-10-14-20-21(26)16-17-22(20)30-18-23(27)25(2,3)19-12-8-7-9-13-19/h7-9,12-13,20,22-23,27H,4-6,10-11,14-18H2,1-3H3