Chem
J-GLOBAL ID：200907001945078886
Nikkaji number：J724.290E
1-Phenyl-2,3-dioxo-3aα-benzoyl-4β-(phenylthio)-1,2,3,3a,4,7-hexahydro-7aH-indole-7aα-carboxylic acid ethyl ester
1-フェニル-2,3-ジオキソ-3aα-ベンゾイル-4β-(フェニルチオ)-1,2,3,3a,4,7-ヘキサヒドロ-7aH-インドール-7aα-カルボン酸エチル
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： C30H25NO5S
Molecular formula furigana： C30-H25-N-O5-S
Molecular weight： 511.590
InChI：
InChI=1S/C30H25NO5S/c1-2-36-28(35)29-20-12-19-24(37-23-17-10-5-11-18-23)30(29,25(32)21-13-6-3-7-14-21)26(33)27(34)31(29)22-15-8-4-9-16-22/h3-19,24H,2,20H2,1H3/t24-,29-,30-/m0/s1
InChI key：
SZOLSRMAYLOELC-YDZBWFOPSA-N
SMILES：
CCOC(=O)[C@@]12CC=C[C@H](Sc3ccccc3)[C@]1(C(=O)c1ccccc1)C(=O)C(=O)N2c1ccccc1
Systematic name (3)：
- 1-フェニル-2,3-ジオキソ-3aα-ベンゾイル-4β-(フェニルチオ)-1,2,3,3a,4,7-ヘキサヒドロ-7aH-インドール-7aα-カルボン酸エチル
- エチル (3aR,4S,7aR)-3a-ベンゾイル-2,3-ジオキソ-1-フェニル-4-(フェニルスルファニル)-2,3,3a,4,7,7a-ヘキサヒドロ-1H-インドール-7a-カルボキシラート
- ethyl (3aR,4S,7aR)-3a-benzoyl-2,3-dioxo-1-phenyl-4-(phenylsulfanyl)-2,3,3a,4,7,7a-hexahydro-1H-indole-7a-carboxylate
- 1-Phenyl-2,3-dioxo-3aα-benzoyl-4β-(phenylthio)-1,2,3,3a,4,7-hexahydro-7aH-indole-7aα-carboxylic acid ethyl ester
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