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

Systemtic Name: ethyl 7-[2-[2-methyl-4-(4-methylphenyl)-2-oxidanyl-butyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: ethyl 7-[2-[2-hydroxy-2-methyl-4-(p-tolyl)butyl]sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-[[2-hydroxy-2-methyl-4-(4-methylphenyl)butyl]thio]-5-oxocyclopentyl]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2-[2-hydroxy-2-methyl-4-(4-methylphenyl)butyl]sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-[[2-hydroxy-2-methyl-4-(p-tolyl)butyl]thio]-5-keto-cyclopentyl]enanthic acid ethyl ester Formula: C26H40O4S MolecularWeight: 448.6584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(C)(CCC2=CC=C(C=C2)C)O

Isomeric SMILES

CCOC(=O)CCCCCCC1C(CCC1=O)SCC(C)(CCC2=CC=C(C=C2)C)O

InChI

InChI=1S/C26H40O4S/c1-4-30-25(28)10-8-6-5-7-9-22-23(27)15-16-24(22)31-19-26(3,29)18-17-21-13-11-20(2)12-14-21/h11-14,22,24,29H,4-10,15-19H2,1-3H3