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

CAS Registry Number®

1445951-63-2

CAS Name

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

Molecular Formula

C17H21F3N2O7S

Molecular Mass

454.42

Cite this Page

7-(1,1-Dimethylethyl) 3-methyl 5,6,8,9-tetrahydro-2-[[(trifluoromethyl)sulfonyl]oxy]-7H-pyrido[2,3-d]azepine-3,7-dicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1445951-63-2 (retrieved 2024-11-26) (CAS RN: 1445951-63-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H21F3N2O7S/c1-16(2,3)28-15(24)22-7-5-10-9-11(14(23)27-4)13(21-12(10)6-8-22)29-30(25,26)17(18,19)20/h9H,5-8H2,1-4H3

InChIKey

InChIKey=ACWOIEXBKWZXFS-UHFFFAOYSA-N

SMILES

O(S(C(F)(F)F)(=O)=O)C1=C(C(OC)=O)C=C2C(=N1)CCN(C(OC(C)(C)C)=O)CC2

Canonical SMILES

O=C(OC)C=1C=C2C(=NC1OS(=O)(=O)C(F)(F)F)CCN(C(=O)OC(C)(C)C)CC2

Other Names for this Substance

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

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