Chem
J-GLOBAL ID：200907076253032495   Nikkaji number：J2.674.985I

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

2,4-ジメチル-5-オキソ-5,8-ジヒドロ-9-チア-10a-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： C20H21NO5S
Molecular formula furigana： C20-H21-N-O5-S
Molecular weight： 387.450
InChI： InChI=1S/C20H21NO5S/c1-5-25-19(23)13-7-8-27-18-14(17(13)22)15-12(4)9-11(3)10-21(15)16(18)20(24)26-6-2/h7,9-10H,5-6,8H2,1-4H3
InChI key： PSLHUKSXFHNNIV-UHFFFAOYSA-N
SMILES： CCOC(=O)c1c2SCC=C(C(=O)OCC)C(=O)c2c2c(C)cc(C)cn12
Systematic name  (3)：
  • 2,4-ジメチル-5-オキソ-5,8-ジヒドロ-9-チア-10a-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 6,8-ジメチル-5-オキソ-2H,5H-チエピノ[3,2-a]インドリジン-4,11-ジカルボキシラート
  • 4,11-diethyl 6,8-dimethyl-5-oxo-2H,5H-thiepino[3,2-a]indolizine-4,11-dicarboxylate
Other name (1)：
  • 2,4-Dimethyl-5-oxo-5,8-dihydro-9-thia-10a-azabenzo[a]azulene-6,10-dicarboxylic acid diethyl ester
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