Chem
J-GLOBAL ID:200907053708916710   Nikkaji number:J1.692.741D

(1S,3S,6R,10S)-9-[(Z)-(2-Thienyl)methylene]-7-azatricyclo[4.3.1.03,7]decane-10-carboxylic acid isopropyl ester

(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-カルボン酸イソプロピル
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: C18H23NO2S
Molecular formula furigana: C18-H23-N-O2-S
Molecular weight: 317.450
InChI: InChI=1S/C18H23NO2S/c1-11(2)21-18(20)17-15-9-13-5-6-16(17)19(13)10-12(15)8-14-4-3-7-22-14/h3-4,7-8,11,13,15-17H,5-6,9-10H2,1-2H3/b12-8+/t13-,15+,16+,17-/m0/s1
InChI key: QKGBOUVISUKPLV-RZCPNMCDSA-N
SMILES: CC(C)OC(=O)[C@@H]1[C@H]2CC[C@H]3C[C@@H]1/C(=C/c1cccs1)/CN23
Systematic name  (3):
  • (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-カルボン酸イソプロピル
  • プロパン-2-イル (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-カルボキシラート
  • propan-2-yl (1S,2S,3R,6S,9Z)-9-[(thiophen-2-yl)methylidene]-7-azatricyclo[4.3.1.03,7]decane-2-carboxylate
Other name (1):
  • (1S,3S,6R,10S)-9-[(Z)-(2-Thienyl)methylene]-7-azatricyclo[4.3.1.03,7]decane-10-carboxylic acid isopropyl ester
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