(4-cyano-3-methoxy-5-methyl-3H-1,2-thiazol-2-yl) hydrogen sulfate

Systemtic Name: (4-cyano-3-methoxy-5-methyl-3H-1,2-thiazol-2-yl) hydrogen sulfate Openeye Name: (4-cyano-3-methoxy-5-methyl-3H-isothiazol-2-yl) hydrogen sulfate CAS Name: sulfuric acid (4-cyano-3-methoxy-5-methyl-3H-isothiazol-2-yl) ester IUPAC Name: (4-cyano-3-methoxy-5-methyl-3H-1,2-thiazol-2-yl) hydrogen sulfate Traditional Name: sulfuric acid (4-cyano-3-methoxy-5-methyl-4-isothiazolin-2-yl) ester Formula: C6H8N2O5S2 MolecularWeight: 252.26812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(S1)OS(=O)(=O)O)OC)C#N

Isomeric SMILES

CC1=C(C(N(S1)OS(=O)(=O)O)OC)C#N

InChI

InChI=1S/C6H8N2O5S2/c1-4-5(3-7)6(12-2)8(14-4)13-15(9,10)11/h6H,1-2H3,(H,9,10,11)