Chem
J-GLOBAL ID:200907007986519291   Nikkaji number:J2.541.004A

3α-(4-Methylphenyl)-4,4-dicyano-4,4aα-dihydro-3H-pyrido[2,1-b]benzothiazole-1,2-dicarboxylic acid dimethyl ester

3α-(4-メチルフェニル)-4,4-ジシアノ-4,4aα-ジヒドロ-3H-ピリド[2,1-b]ベンゾチアゾール-1,2-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: C24H19N3O4S
Molecular formula furigana: C24-H19-N3-O4-S
Molecular weight: 445.490
InChI: InChI=1S/C24H19N3O4S/c1-14-8-10-15(11-9-14)19-18(21(28)30-2)20(22(29)31-3)27-16-6-4-5-7-17(16)32-23(27)24(19,12-25)13-26/h4-11,19,23H,1-3H3/t19-,23+/m0/s1
InChI key: BGMCKKCXSOASKJ-WMZHIEFXSA-N
SMILES: COC(=O)C1=C(N2[C@H](Sc3ccccc23)C(C#N)(C#N)[C@H]1c1ccc(C)cc1)C(=O)OC
Systematic name  (3):
  • 3α-(4-メチルフェニル)-4,4-ジシアノ-4,4aα-ジヒドロ-3H-ピリド[2,1-b]ベンゾチアゾール-1,2-ジカルボン酸ジメチル
  • 12,13-ジメチル (9R,11S)-10,10-ジシアノ-11-(4-メチルフェニル)-8-チア-1-アザトリシクロ[7.4.0.02,7]トリデカ-2,4,6,12-テトラエン-12,13-ジカルボキシラート
  • 12,13-dimethyl (9R,11S)-10,10-dicyano-11-(4-methylphenyl)-8-thia-1-azatricyclo[7.4.0.02,7]trideca-2,4,6,12-tetraene-12,13-dicarboxylate
Other name (1):
  • 3α-(4-Methylphenyl)-4,4-dicyano-4,4aα-dihydro-3H-pyrido[2,1-b]benzothiazole-1,2-dicarboxylic acid dimethyl ester
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