(6-methoxy-1,3-benzothiazol-2-yl) 2-methylbenzenesulfonate

Systemtic Name: (6-methoxy-1,3-benzothiazol-2-yl) 2-methylbenzenesulfonate Openeye Name: (6-methoxy-1,3-benzothiazol-2-yl) 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid (6-methoxy-1,3-benzothiazol-2-yl) ester IUPAC Name: (6-methoxy-1,3-benzothiazol-2-yl) 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid (6-methoxy-1,3-benzothiazol-2-yl) ester Formula: C15H13NO4S2 MolecularWeight: 335.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C15H13NO4S2/c1-10-5-3-4-6-14(10)22(17,18)20-15-16-12-8-7-11(19-2)9-13(12)21-15/h3-9H,1-2H3