2,3-dimethyl-2H-1,3-benzothiazole; methyl sulfate

Systemtic Name: 2,3-dimethyl-2H-1,3-benzothiazole; methyl sulfate Openeye Name: 2,3-dimethyl-2H-1,3-benzothiazole; methyl sulfate CAS Name: 2,3-dimethyl-2H-1,3-benzothiazole; methyl sulfate IUPAC Name: 2,3-dimethyl-2H-1,3-benzothiazole; methyl sulfate Traditional Name: 2,3-dimethyl-2H-1,3-benzothiazole; methyl sulfate Formula: C10H14NO4S2- MolecularWeight: 276.35246

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=CC=CC=C2S1)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1N(C2=CC=CC=C2S1)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C9H11NS.CH4O4S/c1-7-10(2)8-5-3-4-6-9(8)11-7;1-5-6(2,3)4/h3-7H,1-2H3;1H3,(H,2,3,4)/p-1