Chem
J-GLOBAL ID：200907085773322916   Nikkaji number：J2.674.992A

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

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： C18H17NO5S
Molecular formula furigana： C18-H17-N-O5-S
Molecular weight： 359.400
InChI： InChI=1S/C18H17NO5S/c1-3-23-17(21)11-8-10-25-16-13(18(22)24-4-2)12-7-5-6-9-19(12)14(16)15(11)20/h5-9H,3-4,10H2,1-2H3
InChI key： HMCOBBNUOLTOOM-UHFFFAOYSA-N
SMILES： CCOC(=O)c1c2SCC=C(C(=O)OCC)C(=O)c2n2ccccc12
Systematic name  (3)：
  • 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 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 5-oxo-2H,5H-thiepino[2,3-b]indolizine-4,11-dicarboxylate
Other name (1)：
  • 5-Oxo-5,8-dihydro-9-thia-4a-azabenzo[a]azulene-6,10-dicarboxylic acid diethyl ester
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