Chem
J-GLOBAL ID：201407021132259671   Nikkaji number：J3.301.852E

4-[4-[2,5-Dioxo-3-(tert-butylthio)-pyrrolizino]-4,5,6,7,8,9-hexahydro-1H-cyclooctatriazole-1-yl]benzoic acid ethyl ester

4-[4-[2,5-ジオキソ-3-(tert-ブチルチオ)-ピロリジノ]-4,5,6,7,8,9-ヘキサヒドロ-1H-シクロオクタトリアゾール-1-イル]安息香酸エチル
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： C25H32N4O4S
Molecular formula furigana： C25-H32-N4-O4-S
Molecular weight： 484.620
InChI： InChI=1S/C25H32N4O4S/c1-5-33-24(32)16-11-13-17(14-12-16)29-19-10-8-6-7-9-18(22(19)26-27-29)28-21(30)15-20(23(28)31)34-25(2,3)4/h11-14,18,20H,5-10,15H2,1-4H3
InChI key： JAMZFPXMSRZGHB-UHFFFAOYSA-N
SMILES： CCOC(=O)c1ccc(cc1)n1nnc2C(CCCCCc12)N1C(=O)CC(SC(C)(C)C)C1=O
Systematic name  (3)：
  • 4-[4-[2,5-ジオキソ-3-(tert-ブチルチオ)-ピロリジノ]-4,5,6,7,8,9-ヘキサヒドロ-1H-シクロオクタトリアゾール-1-イル]安息香酸エチル
  • エチル 4-{4-[3-(tert-ブチルスルファニル)-2,5-ジオキソピロリジン-1-イル]-1H,4H,5H,6H,7H,8H,9H-シクロオクタ[d][1,2,3]トリアゾール-1-イル}ベンゾアート
  • ethyl 4-{4-[3-(tert-butylsulfanyl)-2,5-dioxopyrrolidin-1-yl]-1H,4H,5H,6H,7H,8H,9H-cycloocta[d][1,2,3]triazol-1-yl}benzoate
Other name (1)：
  • 4-[4-[2,5-Dioxo-3-(tert-butylthio)-pyrrolizino]-4,5,6,7,8,9-hexahydro-1H-cyclooctatriazole-1-yl]benzoic acid ethyl ester
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