[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C23H27NO5S2 MolecularWeight: 461.59418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)OCC(=O)NC3=CC(=CC=C3)SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)OCC(=O)NC3=CC(=CC=C3)SC)C

InChI

InChI=1S/C23H27NO5S2/c1-16-9-10-20(13-17(16)2)31(27,28)23(11-4-5-12-23)22(26)29-15-21(25)24-18-7-6-8-19(14-18)30-3/h6-10,13-14H,4-5,11-12,15H2,1-3H3,(H,24,25)