3-ethylsulfonyloxy-2-(2-methylsulfanylethylcarbamoyl)benzoic acid

Systemtic Name: 3-ethylsulfonyloxy-2-(2-methylsulfanylethylcarbamoyl)benzoic acid Openeye Name: 3-ethylsulfonyloxy-2-(2-methylsulfanylethylcarbamoyl)benzoic acid CAS Name: 3-ethylsulfonyloxy-2-[[2-(methylthio)ethylamino]-oxomethyl]benzoic acid IUPAC Name: 3-ethylsulfonyloxy-2-(2-methylsulfanylethylcarbamoyl)benzoic acid Traditional Name: 3-esyloxy-2-[2-(methylthio)ethylcarbamoyl]benzoic acid Formula: C13H17NO6S2 MolecularWeight: 347.40718

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1C(=O)NCCSC)C(=O)O

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1C(=O)NCCSC)C(=O)O

InChI

InChI=1S/C13H17NO6S2/c1-3-22(18,19)20-10-6-4-5-9(13(16)17)11(10)12(15)14-7-8-21-2/h4-6H,3,7-8H2,1-2H3,(H,14,15)(H,16,17)