[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 2-indan-5-ylsulfanylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)acetic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate Traditional Name: 2-(indan-5-ylthio)acetic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CSC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CSC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C20H21NO5S2/c1-28(24,25)18-7-3-6-16(11-18)21-19(22)12-26-20(23)13-27-17-9-8-14-4-2-5-15(14)10-17/h3,6-11H,2,4-5,12-13H2,1H3,(H,21,22)