Chem
J-GLOBAL ID：200907063147495406   Nikkaji number：J1.692.745G

Benzoic acid [(1S,3S,6R,10S)-9-[(Z)-(2-thienyl)methylene]-7-azatricyclo[4.3.1.03,7]decane-10-yl]methyl ester

安息香酸[(1S,3S,6R,10S)-9-[(Z)-(2-チエニル)メチレン]-7-アザトリシクロ[4.3.1.03,7]デカン-10-イル]メチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C22H23NO2S
Molecular formula furigana： C22-H23-N-O2-S
Molecular weight： 365.490
InChI： InChI=1S/C22H23NO2S/c24-22(15-5-2-1-3-6-15)25-14-20-19-12-17-8-9-21(20)23(17)13-16(19)11-18-7-4-10-26-18/h1-7,10-11,17,19-21H,8-9,12-14H2/b16-11+/t17-,19+,20-,21+/m0/s1
InChI key： SPPHJQRBMCMDGZ-CYAKKKCASA-N
SMILES： O=C(OC[C@@H]1[C@H]2CC[C@H]3C[C@@H]1/C(=C/c1cccs1)/CN23)c1ccccc1
Systematic name  (3)：
  • 安息香酸[(1S,3S,6R,10S)-9-[(Z)-(2-チエニル)メチレン]-7-アザトリシクロ[4.3.1.03,7]デカン-10-イル]メチル
  • [(1S,2S,3R,6S,9Z)-9-[(チオフェン-2-イル)メチリデン]-7-アザトリシクロ[4.3.1.03,7]デカン-2-イル]メチル ベンゾアート
  • [(1S,2S,3R,6S,9Z)-9-[(thiophen-2-yl)methylidene]-7-azatricyclo[4.3.1.03,7]decan-2-yl]methyl benzoate
Other name (1)：
  • Benzoic acid [(1S,3S,6R,10S)-9-[(Z)-(2-thienyl)methylene]-7-azatricyclo[4.3.1.03,7]decane-10-yl]methyl ester
Thsaurus map：
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