(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methyl 4-methylbenzenesulfonate Openeye Name: (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methyl ester IUPAC Name: (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methyl ester Formula: C16H19NO3S2 MolecularWeight: 337.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(C2)N=C(S3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(C2)N=C(S3)C

InChI

InChI=1S/C16H19NO3S2/c1-11-3-6-14(7-4-11)22(18,19)20-10-13-5-8-16-15(9-13)17-12(2)21-16/h3-4,6-7,13H,5,8-10H2,1-2H3