Chem
J-GLOBAL ID：200907062990921739   Nikkaji number：J1.840.989E

2-(4-Bromobenzoyl)-4-pyridinio-5-thiolatothiophene-3-acetic acid ethyl ester

2-(4-ブロモベンゾイル)-4-ピリジニオ-5-チオラトチオフェン-3-酢酸エチル
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： C20H16Br[N+]O3S[S-]
Molecular formula furigana： C20-H16-BR-N-O3-S2
Molecular weight： 462.380
InChI： InChI=1S/C20H16BrNO3S2/c1-2-25-16(23)12-15-17(22-10-4-3-5-11-22)20(26)27-19(15)18(24)13-6-8-14(21)9-7-13/h3-11H,2,12H2,1H3
InChI key： HONCHTGBYPVSCS-UHFFFAOYSA-N
SMILES： CCOC(=O)Cc1c(sc([S-])c1[n+]1ccccc1)C(=O)c1ccc(Br)cc1
Systematic name  (6)：
  • 2-(4-ブロモベンゾイル)-4-(ピリジニウム-1-イル)-5-チオラトチオフェン-3-酢酸エチル
  • 1-[2-チオラト-4-(2-エトキシ-2-オキソエチル)-5-(4-ブロモベンゾイル)-3-チエニル]ピリジニウム
  • 3-ピリジニオ-4-(2-エトキシ-2-オキソエチル)-5-(4-ブロモベンゾイル)チオフェン-2-チオールアニオン
  • 2-(4-ブロモベンゾイル)-4-ピリジニオ-5-チオラトチオフェン-3-酢酸エチル
  • [5-(4-ブロモベンゾイル)-4-(2-エトキシ-2-オキソエチル)-3-(1λ5-ピリジン-1-イリウム-1-イル)チオフェン-2-イル]スルファニド
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Other name (4)：
  • 2-(4-Bromobenzoyl)-4-(pyridinium-1-yl)-5-thiolatothiophene-3-acetic acid ethyl ester
  • 1-[2-Thiolato-4-(2-ethoxy-2-oxoethyl)-5-(4-bromobenzoyl)-3-thienyl]pyridinium
  • 3-Pyridinio-4-(2-ethoxy-2-oxoethyl)-5-(4-bromobenzoyl)thiophene-2-thiol anion
  • 2-(4-Bromobenzoyl)-4-pyridinio-5-thiolatothiophene-3-acetic acid ethyl ester
Thsaurus map：
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