[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(2,5-dimethylphenyl)sulfonylcyclopentanecarboxylic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C23H26O5S2 MolecularWeight: 446.57954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)C2(CCCC2)C(=O)OCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H26O5S2/c1-16-6-7-17(2)21(14-16)30(26,27)23(12-4-5-13-23)22(25)28-15-20(24)18-8-10-19(29-3)11-9-18/h6-11,14H,4-5,12-13,15H2,1-3H3