Chem
J-GLOBAL ID：200907064204664437   Nikkaji number：J1.825.429H

4-(1-Methyl-2,5-dioxo-4-cyano-3-pyrroline-3-yl)-9-methyl-4,9-dihydrothiopyrano[2,3-b]indole-2,3-dicarboxylic acid dimethyl ester

4-(1-メチル-2,5-ジオキソ-4-シアノ-3-ピロリン-3-イル)-9-メチル-4,9-ジヒドロチオピラノ[2,3-b]インドール-2,3-ジカルボン酸ジメチル
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： C22H17N3O6S
Molecular formula furigana： C22-H17-N3-O6-S
Molecular weight： 451.450
InChI： InChI=1S/C22H17N3O6S/c1-24-12-8-6-5-7-10(12)14-15(13-11(9-23)18(26)25(2)19(13)27)16(21(28)30-3)17(22(29)31-4)32-20(14)24/h5-8,15H,1-4H3
InChI key： ZQKREQRPNVLONP-UHFFFAOYSA-N
SMILES： COC(=O)C1=C(C(C2=C(C#N)C(=O)N(C)C2=O)c2c(S1)n(C)c1ccccc21)C(=O)OC
Systematic name  (3)：
  • 4-(1-メチル-2,5-ジオキソ-4-シアノ-3-ピロリン-3-イル)-9-メチル-4,9-ジヒドロチオピラノ[2,3-b]インドール-2,3-ジカルボン酸ジメチル
  • 2,3-ジメチル 4-(4-シアノ-1-メチル-2,5-ジオキソ-2,5-ジヒドロ-1H-ピロール-3-イル)-9-メチル-4H,9H-チオピラノ[2,3-b]インドール-2,3-ジカルボキシラート
  • 2,3-dimethyl 4-(4-cyano-1-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)-9-methyl-4H,9H-thiopyrano[2,3-b]indole-2,3-dicarboxylate
Other name (1)：
  • 4-(1-Methyl-2,5-dioxo-4-cyano-3-pyrroline-3-yl)-9-methyl-4,9-dihydrothiopyrano[2,3-b]indole-2,3-dicarboxylic acid dimethyl ester
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