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

Systemtic Name: 2-(2-methylsulfanylethylcarbamoyl)-3-(trifluoromethylsulfonyloxy)benzoic acid Openeye Name: 2-(2-methylsulfanylethylcarbamoyl)-3-(trifluoromethylsulfonyloxy)benzoic acid CAS Name: 2-[[2-(methylthio)ethylamino]-oxomethyl]-3-(trifluoromethylsulfonyloxy)benzoic acid IUPAC Name: 2-(2-methylsulfanylethylcarbamoyl)-3-(trifluoromethylsulfonyloxy)benzoic acid Traditional Name: 2-[2-(methylthio)ethylcarbamoyl]-3-triflyloxy-benzoic acid Formula: C12H12F3NO6S2 MolecularWeight: 387.35199

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)C1=C(C=CC=C1OS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

CSCCNC(=O)C1=C(C=CC=C1OS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H12F3NO6S2/c1-23-6-5-16-10(17)9-7(11(18)19)3-2-4-8(9)22-24(20,21)12(13,14)15/h2-4H,5-6H2,1H3,(H,16,17)(H,18,19)