5-methoxy-3-methyl-2-methylsulfanyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonate

Systemtic Name: 5-methoxy-3-methyl-2-methylsulfanyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonate Openeye Name: 5-methoxy-3-methyl-2-methylsulfanyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonate CAS Name: 5-methoxy-3-methyl-2-(methylthio)-2H-1,3-benzothiazole; 4-methylbenzenesulfonate IUPAC Name: 5-methoxy-3-methyl-2-methylsulfanyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonate Traditional Name: 5-methoxy-3-methyl-2-(methylthio)-2H-1,3-benzothiazole tosylate Formula: C17H20NO4S3- MolecularWeight: 398.54

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C(SC2=C1C=C(C=C2)OC)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C(SC2=C1C=C(C=C2)OC)SC

InChI

InChI=1S/C10H13NOS2.C7H8O3S/c1-11-8-6-7(12-2)4-5-9(8)14-10(11)13-3;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,10H,1-3H3;2-5H,1H3,(H,8,9,10)/p-1