2-(2-ethylsulfanylethylcarbamoyl)-3-methylsulfonyloxy-benzoic acid

Systemtic Name: 2-(2-ethylsulfanylethylcarbamoyl)-3-methylsulfonyloxy-benzoic acid Openeye Name: 2-(2-ethylsulfanylethylcarbamoyl)-3-methylsulfonyloxy-benzoic acid CAS Name: 2-[[2-(ethylthio)ethylamino]-oxomethyl]-3-methylsulfonyloxybenzoic acid IUPAC Name: 2-(2-ethylsulfanylethylcarbamoyl)-3-methylsulfonyloxybenzoic acid Traditional Name: 2-[2-(ethylthio)ethylcarbamoyl]-3-methylsulfonyloxy-benzoic acid Formula: C13H17NO6S2 MolecularWeight: 347.40718

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC(=O)C1=C(C=CC=C1OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCSCCNC(=O)C1=C(C=CC=C1OS(=O)(=O)C)C(=O)O

InChI

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