Chem
J-GLOBAL ID：200907003311332456   Nikkaji number：J1.792.798A

(1S,2R,3R,7R)-1′-Benzyl-2′,4-dioxo-7-(2-thienyl)-3,7-epoxyspiro[cycloheptane-1,3′(2′H)-[1H]indole]-2-carboxylic acid ethyl ester

(1S,2R,3R,7R)-1′-ベンジル-2′,4-ジオキソ-7-(2-チエニル)-3,7-エポキシスピロ[シクロヘプタン-1,3′(2′H)-[1H]インドール]-2-カルボン酸エチル
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： C28H25NO5S
Molecular formula furigana： C28-H25-N-O5-S
Molecular weight： 487.570
InChI： InChI=1S/C28H25NO5S/c1-2-33-25(31)23-24-21(30)14-15-27(34-24,22-13-8-16-35-22)28(23)19-11-6-7-12-20(19)29(26(28)32)17-18-9-4-3-5-10-18/h3-13,16,23-24H,2,14-15,17H2,1H3/t23-,24+,27+,28+/m1/s1
InChI key： MPPDNYKFOSIORI-JGPKDBRGSA-N
SMILES： CCOC(=O)[C@H]1[C@H]2O[C@@](CCC2=O)(c2cccs2)[C@@]21C(=O)N(Cc1ccccc1)c1ccccc21
Systematic name  (3)：
  • (1S,2R,3R,7R)-1′-ベンジル-2′,4-ジオキソ-7-(2-チエニル)-3,7-エポキシスピロ[シクロヘプタン-1,3′(2′H)-[1H]インドール]-2-カルボン酸エチル
  • エチル (1R,5R,6S,7R)-1'-ベンジル-2,2'-ジオキソ-5-(チオフェン-2-イル)-1',2'-ジヒドロ-8-オキサスピロ[ビシクロ[3.2.1]オクタン-6,3'-インドール]-7-カルボキシラート
  • ethyl (1R,5R,6S,7R)-1'-benzyl-2,2'-dioxo-5-(thiophen-2-yl)-1',2'-dihydro-8-oxaspiro[bicyclo[3.2.1]octane-6,3'-indole]-7-carboxylate
Other name (1)：
  • (1S,2R,3R,7R)-1′-Benzyl-2′,4-dioxo-7-(2-thienyl)-3,7-epoxyspiro[cycloheptane-1,3′(2′H)-[1H]indole]-2-carboxylic acid ethyl ester
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