Chem
J-GLOBAL ID:200907050522223589   Nikkaji number:J2.706.048J

(7S)-2-Cyano-5-oxo-7β-(4-methoxyphenyl)-7aβ-(ethoxycarbonyl)-5,6,7,7a-tetrahydro-1H-pyrrolizine-1-one ethane-1,2-diyl dithioacetal

(7S)-2-シアノ-5-オキソ-7β-(4-メトキシフェニル)-7aβ-(エトキシカルボニル)-5,6,7,7a-テトラヒドロ-1H-ピロリザイン-1-オンエタン-1,2-ジイルジチオアセタール
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: C20H20N2O4S2
Molecular formula furigana: C20-H20-N2-O4-S2
Molecular weight: 416.510
InChI: InChI=1S/C20H20N2O4S2/c1-3-26-18(24)19-16(13-4-6-15(25-2)7-5-13)10-17(23)22(19)12-14(11-21)20(19)27-8-9-28-20/h4-7,12,16H,3,8-10H2,1-2H3/t16-,19-/m0/s1
InChI key: OCJSYVMHIKDTSE-LPHOPBHVSA-N
SMILES: CCOC(=O)[C@]12[C@@H](CC(=O)N1C=C(C#N)C12SCCS1)c1ccc(OC)cc1
Systematic name  (3):
  • (7S)-2-シアノ-5-オキソ-7β-(4-メトキシフェニル)-7aβ-(エトキシカルボニル)-5,6,7,7a-テトラヒドロ-1H-ピロリザイン-1-オンエタン-1,2-ジイルジチオアセタール
  • エチル (7'S,7'aS)-2'-シアノ-7'-(4-メトキシフェニル)-5'-オキソ-5',6',7',7'a-テトラヒドロスピロ[1,3-ジチオラン-2,1'-ピロリジン]-7'a-カルボキシラート
  • ethyl (7'S,7'aS)-2'-cyano-7'-(4-methoxyphenyl)-5'-oxo-5',6',7',7'a-tetrahydrospiro[1,3-dithiolane-2,1'-pyrrolizine]-7'a-carboxylate
Other name (1):
  • (7S)-2-Cyano-5-oxo-7β-(4-methoxyphenyl)-7aβ-(ethoxycarbonyl)-5,6,7,7a-tetrahydro-1H-pyrrolizine-1-one ethane-1,2-diyl dithioacetal
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