Chem
J-GLOBAL ID：201307077303898757   Nikkaji number：J3.190.163D

3-Bromo-α-(benzothiazole-2-ylamino)benzylphosphonic acid diethyl ester

3-ブロモ-α-(ベンゾチアゾール-2-イルアミノ)ベンジルホスホン酸ジエチル
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： C18H20BrN2O3PS
Molecular formula furigana： C18-H20-BR-N2-O3-P-S
Molecular weight： 455.310
InChI： InChI=1S/C18H20BrN2O3PS/c1-3-23-25(22,24-4-2)17(13-8-7-9-14(19)12-13)21-18-20-15-10-5-6-11-16(15)26-18/h5-12,17H,3-4H2,1-2H3,(H,20,21)
InChI key： ARFDNQPHXMPVQY-UHFFFAOYSA-N
SMILES： CCOP(=O)(OCC)C(Nc1nc2ccccc2s1)c1cccc(Br)c1
Systematic name  (3)：
  • 3-ブロモ-α-(ベンゾチアゾール-2-イルアミノ)ベンジルホスホン酸ジエチル
  • ジエチル {[(1,3-ベンゾチアゾール-2-イル)アミノ](3-ブロモフェニル)メチル}ホスホナート
  • diethyl {[(1,3-benzothiazol-2-yl)amino](3-bromophenyl)methyl}phosphonate
Other name (1)：
  • 3-Bromo-α-(benzothiazole-2-ylamino)benzylphosphonic acid diethyl ester
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