[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl ester IUPAC Name: [5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl ester Formula: C16H12F3NO3S2 MolecularWeight: 387.39659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC3=C(S2)C=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC3=C(S2)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C16H12F3NO3S2/c1-10-2-5-12(6-3-10)25(21,22)23-9-15-20-13-8-11(16(17,18)19)4-7-14(13)24-15/h2-8H,9H2,1H3