Methyl (1R,2S,3S,5S)-3-(benzoylthio)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CAS Registry Number®
287488-21-5
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CAS Name
Methyl (1R,2S,3S,5S)-3-(benzoylthio)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylateMolecular Formula
C17H21NO3SMolecular Mass
319.42Cite 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/ChemicalDetail.aspx?ref=287488-21-5 (retrieved ) (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
