Chem
J-GLOBAL ID:200907003957411184   Nikkaji number:J353.858C

(5R)-2,5,5aβ,6-Tetrahydro-5β-(4-chlorobenzoyl)-2-oxo-1,3-diphenyl-8b-aza-4-thiaacenaphthylene

(5R)-2,5,5aβ,6-テトラヒドロ-5β-(4-クロロベンゾイル)-2-オキソ-1,3-ジフェニル-8b-アザ-4-チアアセナフチレン
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: C29H20ClNO2S
Molecular formula furigana: C29-H20-CL-N-O2-S
Molecular weight: 481.990
InChI: InChI=1S/C29H20ClNO2S/c30-21-16-14-19(15-17-21)26(32)29-23-13-7-12-22-24(18-8-3-1-4-9-18)27(33)25(31(22)23)28(34-29)20-10-5-2-6-11-20/h1-12,14-17,23,29H,13H2/t23-,29+/m0/s1
InChI key: GLIKDKDGAUGEDI-MUAVYFROSA-N
SMILES: Clc1ccc(cc1)C(=O)[C@@H]1SC(=C2N3[C@H]1CC=CC3=C(C2=O)c1ccccc1)c1ccccc1
Systematic name  (3):
  • (5R)-2,5,5aβ,6-テトラヒドロ-5β-(4-クロロベンゾイル)-2-オキソ-1,3-ジフェニル-8b-アザ-4-チアアセナフチレン
  • (7R,8S)-7-(4-クロロベンゾイル)-2,5-ジフェニル-6-チア-12-アザトリシクロ[6.3.1.04,12]ドデカ-1,4,10-トリエン-3-オン
  • (7R,8S)-7-(4-chlorobenzoyl)-2,5-diphenyl-6-thia-12-azatricyclo[6.3.1.04,12]dodeca-1,4,10-trien-3-one
Other name (1):
  • (5R)-2,5,5aβ,6-Tetrahydro-5β-(4-chlorobenzoyl)-2-oxo-1,3-diphenyl-8b-aza-4-thiaacenaphthylene
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