Chem
J-GLOBAL ID:201607008088511413
Nikkaji number:J3.483.051G
(1R,2α,6α,7S)-1-(2-Thienyl)-4-phenyl-3,5-dioxo-4,10-diazatricyclo[5.2.1.02,6 ]decane-7-carboxylic acid tert-butyl ester
(1R,2α,6α,7S)-1-(2-チエニル)-4-フェニル-3,5-ジオキソ-4,10-ジアザトリシクロ[5.2.1.02,6 ]デカン-7-カルボン酸tert-ブチル
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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:
C23 H24 N2 O4 S
Molecular formula furigana:
C23-H24-N2-O4-S
Molecular weight:
424.520
InChI:
InChI=1S/C23H24N2O4S/c1-21(2,3)29-20(28)23-12-11-22(24-23,15-10-7-13-30-15)16-17(23)19(27)25(18(16)26)14-8-5-4-6-9-14/h4-10,13,16-17,24H,11-12H2,1-3H3/t16-,17+,22+,23+/m1/s1
InChI key:
NJSMRYDZHWEXBS-IFOZNXLVSA-N
SMILES:
CC(C)(C)OC(=O)[C@@]12CC[C@@](N1)([C@@H]1[C@H]2C(=O)N(C1=O)c1ccccc1)c1cccs1
Systematic name (3):
(1R,2α,6α,7S)-1-(2-チエニル)-4-フェニル-3,5-ジオキソ-4,10-ジアザトリシクロ[5.2.1.02,6 ]デカン-7-カルボン酸tert-ブチル
tert-ブチル (1S,2R,6S,7R)-3,5-ジオキソ-4-フェニル-7-(チオフェン-2-イル)-4,10-ジアザトリシクロ[5.2.1.02,6 ]デカン-1-カルボキシラート
tert-butyl (1S,2R,6S,7R)-3,5-dioxo-4-phenyl-7-(thiophen-2-yl)-4,10-diazatricyclo[5.2.1.02,6 ]decane-1-carboxylate
Other name (1):
(1R,2α,6α,7S)-1-(2-Thienyl)-4-phenyl-3,5-dioxo-4,10-diazatricyclo[5.2.1.02,6 ]decane-7-carboxylic acid tert-butyl ester
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