Chem
J-GLOBAL ID：200907061116285060
Nikkaji number：J1.331.893J
(3aα,7aα)-2-Benzyl-6α-methyl-7α-(1H-imidazole-1-ylcarbonothioyloxy)octahydro-1H-isoindole-4-one
(3aα,7aα)-2-ベンジル-6α-メチル-7α-(1H-イミダゾール-1-イルカルボノチオイルオキシ)オクタヒドロ-1H-イソインドール-4-オン
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
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
Molecular formula： C20H23N3O2S
Molecular formula furigana： C20-H23-N3-O2-S
Molecular weight： 369.480
InChI：
InChI=1S/C20H23N3O2S/c1-14-9-18(24)16-11-22(10-15-5-3-2-4-6-15)12-17(16)19(14)25-20(26)23-8-7-21-13-23/h2-8,13-14,16-17,19H,9-12H2,1H3/t14-,16+,17-,19-/m0/s1
InChI key：
LMCZUFNBAMVQHE-RUENVJTFSA-N
SMILES：
C[C@H]1CC(=O)[C@@H]2CN(Cc3ccccc3)C[C@@H]2[C@H]1OC(=S)n1ccnc1
Systematic name (3)：
- (3aα,7aα)-2-ベンジル-6α-メチル-7α-(1H-イミダゾール-1-イルカルボノチオイルオキシ)オクタヒドロ-1H-イソインドール-4-オン
- (3aR,4S,5S,7aS)-2-ベンジル-5-メチル-7-オキソ-オクタヒドロ-1H-イソインドール-4-イル 1H-イミダゾール-1-カルボチオアート
- (3aR,4S,5S,7aS)-2-benzyl-5-methyl-7-oxo-octahydro-1H-isoindol-4-yl 1H-imidazole-1-carbothioate
- (3aα,7aα)-2-Benzyl-6α-methyl-7α-(1H-imidazole-1-ylcarbonothioyloxy)octahydro-1H-isoindole-4-one
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