Chem
J-GLOBAL ID：201007077971732940   Nikkaji number：J2.781.241D

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

2-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： C22H21[N+]O3S[S-]
Molecular formula furigana： C22-H21-N-O3-S2
Molecular weight： 411.530
InChI： InChI=1S/C22H21NO3S2/c1-4-26-18(24)11-17-19(23-12-14(2)10-15(3)13-23)22(27)28-21(17)20(25)16-8-6-5-7-9-16/h5-10,12-13H,4,11H2,1-3H3
InChI key： UXKHHBNUEBVOMF-UHFFFAOYSA-N
SMILES： CCOC(=O)Cc1c(sc([S-])c1[n+]1cc(C)cc(C)c1)C(=O)c1ccccc1
Systematic name  (3)：
  • 2-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-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-benzoyl-3-(3,5-dimethyl-1λ5-pyridin-1-ylium-1-yl)-4-(2-ethoxy-2-oxoethyl)thiophen-2-yl]sulfanide
Other name (1)：
  • 2-Benzoyl-4-(3,5-dimethylpyridinio)-5-thiolatothiophene-3-acetic acid ethyl ester
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