Chem
J-GLOBAL ID：201307013923161667   Nikkaji number：J3.146.580J

(4aS)-2-(tert-Butoxycarbonyl)-8α-phenyl-5,6-(epithiomethanothio)-1,2,3,4,4aβ,7,8,8aα-octahydroisoquinoline-10-one

(4aS)-2-(tert-ブトキシカルボニル)-8α-フェニル-5,6-(エピチオメタノチオ)-1,2,3,4,4aβ,7,8,8aα-オクタヒドロイソキノリン-10-オン
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： C21H25NO3S2
Molecular formula furigana： C21-H25-N-O3-S2
Molecular weight： 403.560
InChI： InChI=1S/C21H25NO3S2/c1-21(2,3)25-19(23)22-10-9-14-16(12-22)15(13-7-5-4-6-8-13)11-17-18(14)27-20(24)26-17/h4-8,14-16H,9-12H2,1-3H3/t14-,15+,16-/m0/s1
InChI key： NZPVHYJSUAMXEJ-XHSDSOJGSA-N
SMILES： CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)[C@H](Cc1sc(=O)sc21)c1ccccc1
Systematic name  (3)：
  • (4aS)-2-(tert-ブトキシカルボニル)-8α-フェニル-5,6-(エピチオメタノチオ)-1,2,3,4,4aβ,7,8,8aα-オクタヒドロイソキノリン-10-オン
  • tert-ブチル (5S,5aR,9aS)-2-オキソ-5-フェニル-2H,4H,5H,5aH,6H,7H,8H,9H,9aH-[1,3]ジチオロ[4,5-f]イソキノリン-7-カルボキシラート
  • tert-butyl (5S,5aR,9aS)-2-oxo-5-phenyl-2H,4H,5H,5aH,6H,7H,8H,9H,9aH-[1,3]dithiolo[4,5-f]isoquinoline-7-carboxylate
Other name (1)：
  • (4aS)-2-(tert-Butoxycarbonyl)-8α-phenyl-5,6-(epithiomethanothio)-1,2,3,4,4aβ,7,8,8aα-octahydroisoquinoline-10-one
Thsaurus map：
Thesaurus Map

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