(3-methyl-2H-1,3-benzothiazol-2-yl)sulfanylmethyl 4-methylbenzenesulfonate

Systemtic Name: (3-methyl-2H-1,3-benzothiazol-2-yl)sulfanylmethyl 4-methylbenzenesulfonate Openeye Name: (3-methyl-2H-1,3-benzothiazol-2-yl)sulfanylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3-methyl-2H-1,3-benzothiazol-2-yl)thio]methyl ester IUPAC Name: (3-methyl-2H-1,3-benzothiazol-2-yl)sulfanylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3-methyl-2H-1,3-benzothiazol-2-yl)thio]methyl ester Formula: C16H17NO3S3 MolecularWeight: 367.50608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCSC2N(C3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCSC2N(C3=CC=CC=C3S2)C

InChI

InChI=1S/C16H17NO3S3/c1-12-7-9-13(10-8-12)23(18,19)20-11-21-16-17(2)14-5-3-4-6-15(14)22-16/h3-10,16H,11H2,1-2H3