Chem
J-GLOBAL ID：200907078865707389   Nikkaji number：J847.171A

(3S)-2-Tosyl-6-oxo-7β-phenyl-2,3,4,6,7,7aβ-hexahydro-1H-2-pyrindine-3-carboxylic acid methyl ester

(3S)-2-トシル-6-オキソ-7β-フェニル-2,3,4,6,7,7aβ-ヘキサヒドロ-1H-2-ピリンジン-3-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： C23H23NO5S
Molecular formula furigana： C23-H23-N-O5-S
Molecular weight： 425.500
InChI： InChI=1S/C23H23NO5S/c1-15-8-10-18(11-9-15)30(27,28)24-14-19-17(12-20(24)23(26)29-2)13-21(25)22(19)16-6-4-3-5-7-16/h3-11,13,19-20,22H,12,14H2,1-2H3/t19-,20+,22+/m1/s1
InChI key： BVFCWWSEAJXSEG-URVUXULASA-N
SMILES： COC(=O)[C@@H]1CC2=CC(=O)[C@H]([C@@H]2CN1S(=O)(=O)c1ccc(C)cc1)c1ccccc1
Systematic name  (3)：
  • (3S)-2-トシル-6-オキソ-7β-フェニル-2,3,4,6,7,7aβ-ヘキサヒドロ-1H-2-ピリンジン-3-カルボン酸メチル
  • メチル (3S,7R,7aS)-2-(4-メチルベンゼンスルホニル)-6-オキソ-7-フェニル-1H,2H,3H,4H,6H,7H,7aH-シクロペンタ[c]ピリジン-3-カルボキシラート
  • methyl (3S,7R,7aS)-2-(4-methylbenzenesulfonyl)-6-oxo-7-phenyl-1H,2H,3H,4H,6H,7H,7aH-cyclopenta[c]pyridine-3-carboxylate
Other name (1)：
  • (3S)-2-Tosyl-6-oxo-7β-phenyl-2,3,4,6,7,7aβ-hexahydro-1H-2-pyrindine-3-carboxylic acid methyl ester
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