Chem
J-GLOBAL ID：200907045803320458   Nikkaji number：J1.692.737F

(1S,3S,6R,10S)-9-[(Z)-(5-Iodo-2-thienyl)methylene]-7-azatricyclo[4.3.1.03,7]decane-10-carboxylic acid methyl ester

(1S,3S,6R,10S)-9-[(Z)-(5-ヨード-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： C16H18INO2S
Molecular formula furigana： C16-H18-I-N-O2-S
Molecular weight： 415.290
InChI： InChI=1S/C16H18INO2S/c1-20-16(19)15-12-7-10-2-4-13(15)18(10)8-9(12)6-11-3-5-14(17)21-11/h3,5-6,10,12-13,15H,2,4,7-8H2,1H3/b9-6+/t10-,12+,13+,15-/m0/s1
InChI key： YQMIBUHKEVGVSE-PPEABRTBSA-N
SMILES： COC(=O)[C@@H]1[C@H]2CC[C@H]3C[C@@H]1/C(=C/c1ccc(I)s1)/CN23
Systematic name  (3)：
  • (1S,3S,6R,10S)-9-[(Z)-(5-ヨード-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-カルボン酸メチル
  • メチル (1S,2S,3R,6S,9Z)-9-[(5-ヨードチオフェン-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
  • methyl (1S,2S,3R,6S,9Z)-9-[(5-iodothiophen-2-yl)methylidene]-7-azatricyclo[4.3.1.03,7]decane-2-carboxylate
Other name (1)：
  • (1S,3S,6R,10S)-9-[(Z)-(5-Iodo-2-thienyl)methylene]-7-azatricyclo[4.3.1.03,7]decane-10-carboxylic acid methyl ester
Thsaurus map：
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