tert-butyl 4-[[6-(trifluoromethyloxy)-2-[2,2,2-tris(fluoranyl)ethanoylimino]-1,3-benzothiazol-3-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[6-(trifluoromethyloxy)-2-[2,2,2-tris(fluoranyl)ethanoylimino]-1,3-benzothiazol-3-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-(2,2,2-trifluoroacetyl)imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[6-(trifluoromethoxy)-2-(2,2,2-trifluoro-1-oxoethyl)imino-1,3-benzothiazol-3-yl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(2,2,2-trifluoroacetyl)imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[2-(2,2,2-trifluoroacetyl)imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H23F6N3O4S MolecularWeight: 527.480439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2C3=C(C=C(C=C3)OC(F)(F)F)SC2=NC(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2C3=C(C=C(C=C3)OC(F)(F)F)SC2=NC(=O)C(F)(F)F

InChI

InChI=1S/C21H23F6N3O4S/c1-19(2,3)34-18(32)29-8-6-12(7-9-29)11-30-14-5-4-13(33-21(25,26)27)10-15(14)35-17(30)28-16(31)20(22,23)24/h4-5,10,12H,6-9,11H2,1-3H3