3-ethyl-6-methoxy-2,5-dimethyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonic acid

Systemtic Name: 3-ethyl-6-methoxy-2,5-dimethyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonic acid Openeye Name: 3-ethyl-6-methoxy-2,5-dimethyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonic acid CAS Name: 3-ethyl-6-methoxy-2,5-dimethyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonic acid IUPAC Name: 3-ethyl-6-methoxy-2,5-dimethyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonic acid Traditional Name: 3-ethyl-6-methoxy-2,5-dimethyl-2H-1,3-benzothiazole; tosylic acid Formula: C19H25NO4S2 MolecularWeight: 395.5361

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(SC2=C1C=C(C(=C2)OC)C)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN1C(SC2=C1C=C(C(=C2)OC)C)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C12H17NOS.C7H8O3S/c1-5-13-9(3)15-12-7-11(14-4)8(2)6-10(12)13;1-6-2-4-7(5-3-6)11(8,9)10/h6-7,9H,5H2,1-4H3;2-5H,1H3,(H,8,9,10)