2-[6-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethyl 2-methylbenzenesulfonate

Systemtic Name: 2-[6-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethyl 2-methylbenzenesulfonate Openeye Name: 2-[2-(2,2,2-trifluoroacetyl)imino-6-(trifluoromethyl)-1,3-benzothiazol-3-yl]ethyl 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid 2-[6-(trifluoromethyl)-2-(2,2,2-trifluoro-1-oxoethyl)imino-1,3-benzothiazol-3-yl]ethyl ester IUPAC Name: 2-[2-(2,2,2-trifluoroacetyl)imino-6-(trifluoromethyl)-1,3-benzothiazol-3-yl]ethyl 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid 2-[2-(2,2,2-trifluoroacetyl)imino-6-(trifluoromethyl)-1,3-benzothiazol-3-yl]ethyl ester Formula: C19H14F6N2O4S2 MolecularWeight: 512.445879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OCCN2C3=C(C=C(C=C3)C(F)(F)F)SC2=NC(=O)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OCCN2C3=C(C=C(C=C3)C(F)(F)F)SC2=NC(=O)C(F)(F)F

InChI

InChI=1S/C19H14F6N2O4S2/c1-11-4-2-3-5-15(11)33(29,30)31-9-8-27-13-7-6-12(18(20,21)22)10-14(13)32-17(27)26-16(28)19(23,24)25/h2-7,10H,8-9H2,1H3