Chem
J-GLOBAL ID：201707013939471755   Nikkaji number：J3.563.158E

2-[[2-[(4,5-Dibromo-1H-pyrrole-2-yl)carbonylamino]benzothiazole-6-yl]amino]-2-oxoacetic acid

{[2-(4,5-ジブロモ-1H-ピロール-2-アミド)-1,3-ベンゾチアゾール-6-イル]カルバモイル}ギ酸
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： C14H8Br2N4O4S
Molecular formula furigana： C14-H8-BR2-N4-O4-S
Molecular weight： 488.110
InChI： InChI=1S/C14H8Br2N4O4S/c15-6-4-8(18-10(6)16)11(21)20-14-19-7-2-1-5(3-9(7)25-14)17-12(22)13(23)24/h1-4,18H,(H,17,22)(H,23,24)(H,19,20,21)
InChI key： ZDVZBRWEKLWNNU-UHFFFAOYSA-N
SMILES： OC(=O)C(=O)Nc1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1
Systematic name  (3)：
  • 2-[[2-[(4,5-ジブロモ-1H-ピロール-2-イル)カルボニルアミノ]ベンゾチアゾール-6-イル]アミノ]-2-オキソ酢酸
  • {[2-(4,5-ジブロモ-1H-ピロール-2-アミド)-1,3-ベンゾチアゾール-6-イル]カルバモイル}ギ酸
  • {[2-(4,5-dibromo-1H-pyrrole-2-amido)-1,3-benzothiazol-6-yl]carbamoyl}formic acid
Other name (1)：
  • 2-[[2-[(4,5-Dibromo-1H-pyrrole-2-yl)carbonylamino]benzothiazole-6-yl]amino]-2-oxoacetic acid
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