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

Systemtic Name: tert-butyl 4-[[6-chloranyl-2-[2,2,2-tris(fluoranyl)ethanoylimino]-1,3-benzothiazol-3-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[6-chloro-2-(2,2,2-trifluoroacetyl)imino-1,3-benzothiazol-3-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[6-chloro-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-[[6-chloro-2-(2,2,2-trifluoroacetyl)imino-1,3-benzothiazol-3-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[6-chloro-2-(2,2,2-trifluoroacetyl)imino-1,3-benzothiazol-3-yl]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H23ClF3N3O3S MolecularWeight: 477.92813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClF3N3O3S/c1-19(2,3)30-18(29)26-8-6-12(7-9-26)11-27-14-5-4-13(21)10-15(14)31-17(27)25-16(28)20(22,23)24/h4-5,10,12H,6-9,11H2,1-3H3