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
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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:
C18 H23 NO2 S
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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