Chem
J-GLOBAL ID：200907040443664604   Nikkaji number：J2.674.993J

2-Methyl-5-oxo-5,8-dihydro-9-thia-4a-azabenzo[a]azulene-6,10-dicarboxylic acid diethyl ester

2-メチル-5-オキソ-5,8-ジヒドロ-9-チア-4a-アザベンゾ[a]アズレン-6,10-ジカルボン酸ジエチル
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： C19H19NO5S
Molecular formula furigana： C19-H19-N-O5-S
Molecular weight： 373.420
InChI： InChI=1S/C19H19NO5S/c1-4-24-18(22)12-7-9-26-17-14(19(23)25-5-2)13-10-11(3)6-8-20(13)15(17)16(12)21/h6-8,10H,4-5,9H2,1-3H3
InChI key： GMCJETMFXZKRNB-UHFFFAOYSA-N
SMILES： CCOC(=O)c1c2SCC=C(C(=O)OCC)C(=O)c2n2ccc(C)cc12
Systematic name  (3)：
  • 2-メチル-5-オキソ-5,8-ジヒドロ-9-チア-4a-アザベンゾ[a]アズレン-6,10-ジカルボン酸ジエチル
  • 4,11-ジエチル 9-メチル-5-オキソ-2H,5H-チエピノ[2,3-b]インドリジン-4,11-ジカルボキシラート
  • 4,11-diethyl 9-methyl-5-oxo-2H,5H-thiepino[2,3-b]indolizine-4,11-dicarboxylate
Other name (1)：
  • 2-Methyl-5-oxo-5,8-dihydro-9-thia-4a-azabenzo[a]azulene-6,10-dicarboxylic acid diethyl ester
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