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

Systemtic Name: (2-phenyl-1,3-benzothiazol-4-yl)methyl 2-methylbenzenesulfonate Openeye Name: (2-phenyl-1,3-benzothiazol-4-yl)methyl 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid (2-phenyl-1,3-benzothiazol-4-yl)methyl ester IUPAC Name: (2-phenyl-1,3-benzothiazol-4-yl)methyl 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid (2-phenyl-1,3-benzothiazol-4-yl)methyl ester Formula: C21H17NO3S2 MolecularWeight: 395.49458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OCC2=C3C(=CC=C2)SC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OCC2=C3C(=CC=C2)SC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H17NO3S2/c1-15-8-5-6-13-19(15)27(23,24)25-14-17-11-7-12-18-20(17)22-21(26-18)16-9-3-2-4-10-16/h2-13H,14H2,1H3