Methyl (1R,2S,3S,5S)-3-(benzoylthio)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

CAS Registry Number®

287488-21-5

CAS Name

Methyl (1R,2S,3S,5S)-3-(benzoylthio)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Molecular Formula

C17H21NO3S

Molecular Mass

319.42

Cite this Page

Methyl (1R,2S,3S,5S)-3-(benzoylthio)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=287488-21-5 (retrieved 2024-11-25) (CAS RN: 287488-21-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    111-113 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C17H21NO3S/c1-18-12-8-9-13(18)15(16(19)21-2)14(10-12)22-17(20)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1

InChIKey

InChIKey=PKDHUFYOPRGLEU-LJISPDSOSA-N

SMILES

C(OC)(=O)[C@@H]1[C@@]2(N(C)[C@](C[C@@H]1SC(=O)C3=CC=CC=C3)(CC2)[H])[H]

Canonical SMILES

O=C(SC1CC2N(C)C(CC2)C1C(=O)OC)C=3C=CC=CC3

Other Names for this Substance

  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoylthio)-8-methyl-, methyl ester, (1R,2S,3S,5S)-
  • Methyl (1R,2S,3S,5S)-3-(benzoylthio)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

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