Chem
J-GLOBAL ID：201507013308031340   Nikkaji number：J3.393.772E

3-(2-Benzoylvinyl)-4-(1-carboxy-3-mercaptopropylamino)-7-(diethylamino)coumarin

3-(2-ベンゾイルビニル)-4-(1-カルボキシ-3-メルカプトプロピルアミノ)-7-(ジエチルアミノ)クマリン
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： C26H28N2O5S
Molecular formula furigana： C26-H28-N2-O5-S
Molecular weight： 480.580
InChI： InChI=1S/C26H28N2O5S/c1-3-28(4-2)18-10-11-19-23(16-18)33-26(32)20(24(19)27-21(14-15-34)25(30)31)12-13-22(29)17-8-6-5-7-9-17/h5-13,16,21,27,34H,3-4,14-15H2,1-2H3,(H,30,31)
InChI key： WMIRYHHDGKZAFV-UHFFFAOYSA-N
SMILES： CCN(CC)c1ccc2c(NC(CCS)C(=O)O)c(C=CC(=O)c3ccccc3)c(=O)oc2c1
Systematic name  (3)：
  • 3-(2-ベンゾイルビニル)-4-(1-カルボキシ-3-メルカプトプロピルアミノ)-7-(ジエチルアミノ)クマリン
  • 2-{[7-(ジエチルアミノ)-2-オキソ-3-(3-オキソ-3-フェニルプロパ-1-エン-1-イル)-2H-クロメン-4-イル]アミノ}-4-スルファニルブタン酸
  • 2-{[7-(diethylamino)-2-oxo-3-(3-oxo-3-phenylprop-1-en-1-yl)-2H-chromen-4-yl]amino}-4-sulfanylbutanoic acid
Other name (1)：
  • 3-(2-Benzoylvinyl)-4-(1-carboxy-3-mercaptopropylamino)-7-(diethylamino)coumarin
Thsaurus map：
Thesaurus Map

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