3-ethyl-2,5-dimethyl-2H-1,3-benzothiazole; methyl sulfate

Systemtic Name: 3-ethyl-2,5-dimethyl-2H-1,3-benzothiazole; methyl sulfate Openeye Name: 3-ethyl-2,5-dimethyl-2H-1,3-benzothiazole; methyl sulfate CAS Name: 3-ethyl-2,5-dimethyl-2H-1,3-benzothiazole; methyl sulfate IUPAC Name: 3-ethyl-2,5-dimethyl-2H-1,3-benzothiazole; methyl sulfate Traditional Name: 3-ethyl-2,5-dimethyl-2H-1,3-benzothiazole; methyl sulfate Formula: C12H18NO4S2- MolecularWeight: 304.40562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(SC2=C1C=C(C=C2)C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCN1C(SC2=C1C=C(C=C2)C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C11H15NS.CH4O4S/c1-4-12-9(3)13-11-6-5-8(2)7-10(11)12;1-5-6(2,3)4/h5-7,9H,4H2,1-3H3;1H3,(H,2,3,4)/p-1