Chem
J-GLOBAL ID：200907070510098526   Nikkaji number：J2.312.303G

NK-2367

3-[4-[4-(3-エチル-4-オキソ-2-チオキソチアゾリジン-5-イリデン)-2-ブテニリデン]-1,4-ジヒドロキノリン-1-イル]-1-プロパンスルホン酸ナトリウム
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： C21H21N2NaO4S3
Molecular formula furigana： C21-H21-N2-NA-O4-S3
Molecular weight： 484.580
InChI： InChI=1S/C21H22N2O4S3.Na/c1-2-23-20(24)19(29-21(23)28)11-6-3-8-16-12-14-22(13-7-15-30(25,26)27)18-10-5-4-9-17(16)18;/h3-6,8-12,14H,2,7,13,15H2,1H3,(H,25,26,27);/q;+1/p-1
InChI key： FAXPCTRHXLEEBC-UHFFFAOYSA-M
SMILES： CCN1C(=S)SC(=CC=CC=c2ccn(CCCS(=O)(=O)O[Na])c3ccccc23)C1=O
Systematic name  (3)：
  • 3-[4-[4-(3-エチル-4-オキソ-2-チオキソチアゾリジン-5-イリデン)-2-ブテニリデン]-1,4-ジヒドロキノリン-1-イル]-1-プロパンスルホン酸ナトリウム
  • ナトリウム 3-{4-[4-(3-エチル-4-オキソ-2-スルファニリデン-1,3-チアゾリジン-5-イリデン)ブタ-2-エン-1-イリデン]-1,4-ジヒドロキノリン-1-イル}プロパン-1-スルホナート
  • sodium 3-{4-[4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)but-2-en-1-ylidene]-1,4-dihydroquinolin-1-yl}propane-1-sulfonate
Other name (2)：
  • 3-[4-[4-(3-Ethyl-4-oxo-2-thioxothiazolidine-5-ylidene)-2-butenylidene]-1,4-dihydroquinoline-1-yl]-1-propanesulfonic acid sodium salt
  • NK-2367
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