Chem
J-GLOBAL ID：200907070474442320   Nikkaji number：J1.457.928A

1-Tosyl-2-oxo-6,7-dimethyl-1,2,8,8aα-tetrahydroquinoline-4aα(5H)-carboxylic acid methyl ester

1-トシル-2-オキソ-6,7-ジメチル-1,2,8,8aα-テトラヒドロキノリン-4aα(5H)-カルボン酸メチル
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： C20H23NO5S
Molecular formula furigana： C20-H23-N-O5-S
Molecular weight： 389.470
InChI： InChI=1S/C20H23NO5S/c1-13-5-7-16(8-6-13)27(24,25)21-17-11-14(2)15(3)12-20(17,19(23)26-4)10-9-18(21)22/h5-10,17H,11-12H2,1-4H3/t17-,20-/m1/s1
InChI key： OTGAVIFZHJJTEL-YLJYHZDGSA-N
SMILES： COC(=O)[C@]12CC(=C(C)C[C@H]1N(C(=O)C=C2)S(=O)(=O)c1ccc(C)cc1)C
Systematic name  (4)：
  • 1-トシル-2-オキソ-6,7-ジメチル-1,2,8,8aα-テトラヒドロキノリン-4aα(5H)-カルボン酸メチル
  • (4aS)-1-(4-メチルフェニルスルホニル)-2-オキソ-6,7-ジメチル-1,2,4a,5,8,8aα-ヘキサヒドロキノリン-4aα-カルボン酸メチル
  • メチル (4aS,8aR)-6,7-ジメチル-1-(4-メチルベンゼンスルホニル)-2-オキソ-1,2,4a,5,8,8a-ヘキサヒドロキノリン-4a-カルボキシラート
  • methyl (4aS,8aR)-6,7-dimethyl-1-(4-methylbenzenesulfonyl)-2-oxo-1,2,4a,5,8,8a-hexahydroquinoline-4a-carboxylate
Other name (2)：
  • 1-Tosyl-2-oxo-6,7-dimethyl-1,2,8,8aα-tetrahydroquinoline-4aα(5H)-carboxylic acid methyl ester
  • (4aS)-1-(4-Methylphenylsulfonyl)-2-oxo-6,7-dimethyl-1,2,4a,5,8,8aα-hexahydroquinoline-4aα-carboxylic acid methyl ester
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