Chem
J-GLOBAL ID：200907079909546252   Nikkaji number：J858.180K

2-(Methylthio)-4,5-dihydro-8bH-1-thia-3a,5a-diaza-as-indacene-3-carboxylic acid ethyl ester

2-(メチルチオ)-4,5-ジヒドロ-8bH-1-チア-3a,5a-ジアザ-as-インダセン-3-カルボン酸エチル
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： C13H16N2O2S2
Molecular formula furigana： C13-H16-N2-O2-S2
Molecular weight： 296.400
InChI： InChI=1S/C13H16N2O2S2/c1-3-17-12(16)10-13(18-2)19-11-9-5-4-6-14(9)7-8-15(10)11/h4-6,11H,3,7-8H2,1-2H3
InChI key： YJJKDWCKCQVIGI-UHFFFAOYSA-N
SMILES： CCOC(=O)C1=C(SC)SC2N1CCn1cccc21
Systematic name  (3)：
  • 2-(メチルチオ)-4,5-ジヒドロ-8bH-1-チア-3a,5a-ジアザ-as-インダセン-3-カルボン酸エチル
  • エチル 4-(メチルスルファニル)-3-チア-6,9-ジアザトリシクロ[7.3.0.02,6]ドデカ-1(12),4,10-トリエン-5-カルボキシラート
  • ethyl 4-(methylsulfanyl)-3-thia-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),4,10-triene-5-carboxylate
Other name (1)：
  • 2-(Methylthio)-4,5-dihydro-8bH-1-thia-3a,5a-diaza-as-indacene-3-carboxylic acid ethyl ester
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