Chem
J-GLOBAL ID：201007066493080646   Nikkaji number：J2.781.244I

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

2-(4-ブロモベンゾイル)-4-(3,5-ジメチルピリジニオ)-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： C22H20Br[N+]O3S[S-]
Molecular formula furigana： C22-H20-BR-N-O3-S2
Molecular weight： 490.430
InChI： InChI=1S/C22H20BrNO3S2/c1-4-27-18(25)10-17-19(24-11-13(2)9-14(3)12-24)22(28)29-21(17)20(26)15-5-7-16(23)8-6-15/h5-9,11-12H,4,10H2,1-3H3
InChI key： GTHPIQALCAVBQI-UHFFFAOYSA-N
SMILES： CCOC(=O)Cc1c(sc([S-])c1[n+]1cc(C)cc(C)c1)C(=O)c1ccc(Br)cc1
Systematic name  (3)：
  • 2-(4-ブロモベンゾイル)-4-(3,5-ジメチルピリジニオ)-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)-3-(3,5-ジメチル-1λ5-ピリジン-1-イリウム-1-イル)-4-(2-エトキシ-2-オキソエチル)チオフェン-2-イル]スルファニド
  • [5-(4-bromobenzoyl)-3-(3,5-dimethyl-1λ5-pyridin-1-ylium-1-yl)-4-(2-ethoxy-2-oxoethyl)thiophen-2-yl]sulfanide
Other name (1)：
  • 2-(4-Bromobenzoyl)-4-(3,5-dimethylpyridinio)-5-thiolatothiophene-3-acetic acid ethyl ester
Thsaurus map：
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