(5-chloranyl-1,2,3-benzothiadiazol-4-yl) hydrogen carbonate; methyl 2-sulfanylethanoate

Systemtic Name: (5-chloranyl-1,2,3-benzothiadiazol-4-yl) hydrogen carbonate; methyl 2-sulfanylethanoate Openeye Name: (5-chloro-1,2,3-benzothiadiazol-4-yl) hydrogen carbonate; methyl 2-sulfanylacetate CAS Name: carbonic acid (5-chloro-1,2,3-benzothiadiazol-4-yl) ester; 2-mercaptoacetic acid methyl ester IUPAC Name: (5-chloro-1,2,3-benzothiadiazol-4-yl) hydrogen carbonate; methyl 2-sulfanylacetate Traditional Name: carbonic acid (5-chloro-1,2,3-benzothiadiazol-4-yl) ester; 2-mercaptoacetic acid methyl ester Formula: C10H9ClN2O5S2 MolecularWeight: 336.77186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CS.C1=CC(=C(C2=C1SN=N2)OC(=O)O)Cl

Isomeric SMILES

COC(=O)CS.C1=CC(=C(C2=C1SN=N2)OC(=O)O)Cl

InChI

InChI=1S/C7H3ClN2O3S.C3H6O2S/c8-3-1-2-4-5(9-10-14-4)6(3)13-7(11)12;1-5-3(4)2-6/h1-2H,(H,11,12);6H,2H2,1H3