1,3-benzothiazol-2-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-methylbenzenesulfonate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C15H13NO3S2 MolecularWeight: 319.39862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H13NO3S2/c1-11-6-8-12(9-7-11)21(17,18)19-10-15-16-13-4-2-3-5-14(13)20-15/h2-9H,10H2,1H3