2,3-dimethoxy-5-(2-methylsulfanylethylsulfamoyl)benzoic acid

Systemtic Name: 2,3-dimethoxy-5-(2-methylsulfanylethylsulfamoyl)benzoic acid Openeye Name: 2,3-dimethoxy-5-(2-methylsulfanylethylsulfamoyl)benzoic acid CAS Name: 2,3-dimethoxy-5-[2-(methylthio)ethylsulfamoyl]benzoic acid IUPAC Name: 2,3-dimethoxy-5-(2-methylsulfanylethylsulfamoyl)benzoic acid Traditional Name: 2,3-dimethoxy-5-[2-(methylthio)ethylsulfamoyl]benzoic acid Formula: C12H17NO6S2 MolecularWeight: 335.39648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)S(=O)(=O)NCCSC)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)S(=O)(=O)NCCSC)C(=O)O)OC

InChI

InChI=1S/C12H17NO6S2/c1-18-10-7-8(21(16,17)13-4-5-20-3)6-9(12(14)15)11(10)19-2/h6-7,13H,4-5H2,1-3H3,(H,14,15)