6-methoxy-2,3-dimethyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonate

Systemtic Name: 6-methoxy-2,3-dimethyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonate Openeye Name: 6-methoxy-2,3-dimethyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonate CAS Name: 6-methoxy-2,3-dimethyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonate IUPAC Name: 6-methoxy-2,3-dimethyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonate Traditional Name: 6-methoxy-2,3-dimethyl-2H-1,3-benzothiazole tosylate Formula: C17H20NO4S2- MolecularWeight: 366.475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(S1)C=C(C=C2)OC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1N(C2=C(S1)C=C(C=C2)OC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H13NOS.C7H8O3S/c1-7-11(2)9-5-4-8(12-3)6-10(9)13-7;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,1-3H3;2-5H,1H3,(H,8,9,10)/p-1