Chem
J-GLOBAL ID：201607005323804130   Nikkaji number：J3.543.442I

(2R,3aR,4S,9bR)-2-(2-Thienyl)-2-(5-methyl-2-furyl)-4-trifluoromethyl-8-methoxy-1,2,3a,4,5,9b-hexahydrofuro[2,3-c]quinoline-4-carboxylic acid ethyl ester

(2R,3aR,4S,9bR)-2-(2-チエニル)-2-(5-メチル-2-フリル)-4-トリフルオロメチル-8-メトキシ-1,2,3a,4,5,9b-ヘキサヒドロフロ[2,3-c]キノリン-4-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： C25H24F3NO5S
Molecular formula furigana： C25-H24-F3-N-O5-S
Molecular weight： 507.520
InChI： InChI=1S/C25H24F3NO5S/c1-4-32-22(30)24(25(26,27)28)21-17(16-12-15(31-3)8-9-18(16)29-24)13-23(34-21,20-6-5-11-35-20)19-10-7-14(2)33-19/h5-12,17,21,29H,4,13H2,1-3H3/t17-,21-,23-,24+/m1/s1
InChI key： PWKXCFLEMJBABJ-CTMCQALVSA-N
SMILES： CCOC(=O)[C@]1(Nc2ccc(OC)cc2[C@H]2C[C@@](O[C@@H]12)(c1ccc(C)o1)c1cccs1)C(F)(F)F
Systematic name  (3)：
  • (2R,3aR,4S,9bR)-2-(2-チエニル)-2-(5-メチル-2-フリル)-4-トリフルオロメチル-8-メトキシ-1,2,3a,4,5,9b-ヘキサヒドロフロ[2,3-c]キノリン-4-カルボン酸エチル
  • エチル (2R,3aR,4S,9bR)-8-メトキシ-2-(5-メチルフラン-2-イル)-2-(チオフェン-2-イル)-4-(トリフルオロメチル)-1H,2H,3aH,4H,5H,9bH-フロ[2,3-c]キノリン-4-カルボキシラート
  • ethyl (2R,3aR,4S,9bR)-8-methoxy-2-(5-methylfuran-2-yl)-2-(thiophen-2-yl)-4-(trifluoromethyl)-1H,2H,3aH,4H,5H,9bH-furo[2,3-c]quinoline-4-carboxylate
Other name (1)：
  • (2R,3aR,4S,9bR)-2-(2-Thienyl)-2-(5-methyl-2-furyl)-4-trifluoromethyl-8-methoxy-1,2,3a,4,5,9b-hexahydrofuro[2,3-c]quinoline-4-carboxylic acid ethyl ester
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