Chem
J-GLOBAL ID：200907056167920026   Nikkaji number：J1.825.431J

4-(3,3-Dicyanoallylidene)-9-methyl-4,9-dihydrothiopyrano[2,3-b]indole-2,3-dicarboxylic acid dimethyl ester

4-(3,3-ジシアノアリリデン)-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： C21H15N3O4S
Molecular formula furigana： C21-H15-N3-O4-S
Molecular weight： 405.430
InChI： InChI=1S/C21H15N3O4S/c1-24-15-7-5-4-6-13(15)16-14(9-8-12(10-22)11-23)17(20(25)27-2)18(21(26)28-3)29-19(16)24/h4-9H,1-3H3
InChI key： AIWSQWVBNHSJGL-UHFFFAOYSA-N
SMILES： COC(=O)c1c(C(=O)OC)c(=CC=C(C#N)C#N)c2c(s1)n(C)c1ccccc21
Systematic name  (4)：
  • 4-(3,3-ジシアノアリリデン)-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
  • 4-(3,3-ジシアノ-2-プロペニリデン)-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-(3,3-ジシアノプロパ-2-エン-1-イリデン)-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-(3,3-dicyanoprop-2-en-1-ylidene)-9-methyl-4H,9H-thiopyrano[2,3-b]indole-2,3-dicarboxylate
Other name (2)：
  • 4-(3,3-Dicyanoallylidene)-9-methyl-4,9-dihydrothiopyrano[2,3-b]indole-2,3-dicarboxylic acid dimethyl ester
  • 4-(3,3-Dicyano-2-propenylidene)-9-methyl-4,9-dihydrothiopyrano[2,3-b]indole-2,3-dicarboxylic acid dimethyl ester
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