1,1-Dimethylethyl 5,6,8,9-tetrahydro-2-[[(trifluoromethyl)sulfonyl]oxy]-7H-pyrido[2,3-d]azepine-7-carboxylate

CAS Registry Number®

1003589-97-6
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CAS Name

1,1-Dimethylethyl 5,6,8,9-tetrahydro-2-[[(trifluoromethyl)sulfonyl]oxy]-7H-pyrido[2,3-d]azepine-7-carboxylate

Molecular Formula

C15H19F3N2O5S

Molecular Mass

396.38

Cite this Page

1,1-Dimethylethyl 5,6,8,9-tetrahydro-2-[[(trifluoromethyl)sulfonyl]oxy]-7H-pyrido[2,3-d]azepine-7-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1003589-97-6 (retrieved 2024-07-27) (CAS RN: 1003589-97-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H19F3N2O5S/c1-14(2,3)24-13(21)20-8-6-10-4-5-12(19-11(10)7-9-20)25-26(22,23)15(16,17)18/h4-5H,6-9H2,1-3H3

InChIKey

InChIKey=LXTCMLXMXJKNMK-UHFFFAOYSA-N

SMILES

O(S(C(F)(F)F)(=O)=O)C=1N=C2C(=CC1)CCN(C(OC(C)(C)C)=O)CC2

Canonical SMILES

O=C(OC(C)(C)C)N1CCC2=NC(OS(=O)(=O)C(F)(F)F)=CC=C2CC1

Other Names for this Substance

  • 7H-Pyrido[2,3-d]azepine-7-carboxylic acid, 5,6,8,9-tetrahydro-2-[[(trifluoromethyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 5,6,8,9-tetrahydro-2-[[(trifluoromethyl)sulfonyl]oxy]-7H-pyrido[2,3-d]azepine-7-carboxylate