Chem
J-GLOBAL ID：200907005109794343   Nikkaji number：J1.692.744I

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

ピバル酸[(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： C20H27NO2S
Molecular formula furigana： C20-H27-N-O2-S
Molecular weight： 345.500
InChI： InChI=1S/C20H27NO2S/c1-20(2,3)19(22)23-12-17-16-10-14-6-7-18(17)21(14)11-13(16)9-15-5-4-8-24-15/h4-5,8-9,14,16-18H,6-7,10-12H2,1-3H3/b13-9+/t14-,16+,17-,18+/m0/s1
InChI key： SHHWJFWQYLCSAZ-HVWBLCMPSA-N
SMILES： CC(C)(C)C(=O)OC[C@@H]1[C@H]2CC[C@H]3C[C@@H]1/C(=C/c1cccs1)/CN23
Systematic name  (3)：
  • ピバル酸[(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 2,2-ジメチルプロパノアート
  • [(1S,2S,3R,6S,9Z)-9-[(thiophen-2-yl)methylidene]-7-azatricyclo[4.3.1.03,7]decan-2-yl]methyl 2,2-dimethylpropanoate
Other name (1)：
  • Pivalic acid [(1S,3S,6R,10S)-9-[(Z)-(2-thienyl)methylene]-7-azatricyclo[4.3.1.03,7]decane-10-yl]methyl ester
Thsaurus map：
Thesaurus Map

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