Chem
J-GLOBAL ID：200907009322932593   Nikkaji number：J1.929.081F

(1R,3R,4S,7R,8R,11R)-3,8-Diphenyl-4-methyl-11-(4-chlorophenyl)-2,10-dioxa-9-thia-5-azatricyclo[5.2.2.01,5]undecane-6-one

(1R,3R,4S,7R,8R,11R)-3,8-ジフェニル-4-メチル-11-(4-クロロフェニル)-2,10-ジオキサ-9-チア-5-アザトリシクロ[5.2.2.01,5]ウンデカン-6-オン
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： C26H22ClNO3S
Molecular formula furigana： C26-H22-CL-N-O3-S
Molecular weight： 463.980
InChI： InChI=1S/C26H22ClNO3S/c1-16-22(17-8-4-2-5-9-17)30-26-28(16)25(29)21(24(32-26)19-10-6-3-7-11-19)23(31-26)18-12-14-20(27)15-13-18/h2-16,21-24H,1H3/t16-,21-,22-,23-,24-,26-/m0/s1
InChI key： CZEOWQOUWQLAHA-VESCSPDJSA-N
SMILES： C[C@H]1[C@H](O[C@@]23O[C@H]([C@@H]([C@@H](S2)c2ccccc2)C(=O)N13)c1ccc(Cl)cc1)c1ccccc1
Systematic name  (4)：
  • (1R,3R,4S,7R,8R,11R)-3,11-ジフェニル-8-(4-クロロフェニル)-4-メチル-9-オキサ-2-オキサ-10-チア-5-アザトリシクロ[5.2.2.01,5]ウンデカン-6-オン
  • (1R,3R,4S,7R,8R,11R)-3,8-ジフェニル-4-メチル-11-(4-クロロフェニル)-2,10-ジオキサ-9-チア-5-アザトリシクロ[5.2.2.01,5]ウンデカン-6-オン
  • (1R,3R,4S,7R,8R,11R)-8-(4-クロロフェニル)-4-メチル-3,11-ジフェニル-2,9-ジオキサ-10-チア-5-アザトリシクロ[5.2.2.01,5]ウンデカン-6-オン
  • (1R,3R,4S,7R,8R,11R)-8-(4-chlorophenyl)-4-methyl-3,11-diphenyl-2,9-dioxa-10-thia-5-azatricyclo[5.2.2.01,5]undecan-6-one
Other name (2)：
  • (1R,3R,4S,7R,8R,11R)-3,11-Diphenyl-8-(4-chlorophenyl)-4-methyl-9-oxa-2-oxa-10-thia-5-azatricyclo[5.2.2.01,5]undecane-6-one
  • (1R,3R,4S,7R,8R,11R)-3,8-Diphenyl-4-methyl-11-(4-chlorophenyl)-2,10-dioxa-9-thia-5-azatricyclo[5.2.2.01,5]undecane-6-one
Thsaurus map：
Thesaurus Map

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