6H-Isothiazolo[4,5-d]azepine-6-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, 1,1-dioxide

CAS Registry Number®

1251003-16-3

CAS Name

6H-Isothiazolo[4,5-d]azepine-6-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, 1,1-dioxide

Molecular Formula

C12H22N2O4S

Molecular Mass

290.38

Cite this Page

6H-Isothiazolo[4,5-d]azepine-6-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, 1,1-dioxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1251003-16-3 (retrieved 2024-11-24) (CAS RN: 1251003-16-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H22N2O4S/c1-12(2,3)18-11(15)14-6-4-9-8-13-19(16,17)10(9)5-7-14/h9-10,13H,4-8H2,1-3H3

InChIKey

InChIKey=WSBWLMPIZPKXGD-UHFFFAOYSA-N

SMILES

O=S1(=O)C2C(CN1)CCN(C(OC(C)(C)C)=O)CC2

Canonical SMILES

O=C(OC(C)(C)C)N1CCC2CNS(=O)(=O)C2CC1

Other Names for this Substance

  • 6H-Isothiazolo[4,5-d]azepine-6-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, 1,1-dioxide
  • Racemic-(3aR,8aR)-tert-butyl hexahydro-2H-isothiazolo[4,5-d]azepine-6(7H)-carboxylate 1,1-dioxide

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