Chem
J-GLOBAL ID：200907084134203942   Nikkaji number：J548.774I

EMD-57033

EMD-57033
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： C22H23N3O4S
Molecular formula furigana： C22-H23-N3-O4-S
Molecular weight： 425.500
InChI： InChI=1S/C22H23N3O4S/c1-13-20(23-24-22(27)30-13)15-6-8-17-14(11-15)5-4-10-25(17)21(26)16-7-9-18(28-2)19(12-16)29-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,27)/t13-/m1/s1
InChI key： IZLRMTJLQCLMKF-CYBMUJFWSA-N
SMILES： COc1ccc(cc1OC)C(=O)N1CCCc2cc(ccc12)C1=NNC(=O)S[C@@H]1C
Systematic name  (4)：
  • 5-[[1-(3,4-ジメトキシベンゾイル)-1,2,3,4-テトラヒドロキノリン]-6-イル]-3,6-ジヒドロ-6β-メチル-2H-1,3,4-チアジアジン-2-オン
  • (R)-5-[[1-(3,4-ジメトキシベンゾイル)-1,2,3,4-テトラヒドロキノリン]-6-イル]-3,6-ジヒドロ-6-メチル-2H-1,3,4-チアジアジン-2-オン
  • (6R)-5-[1-(3,4-ジメトキシベンゾイル)-1,2,3,4-テトラヒドロキノリン-6-イル]-6-メチル-3,6-ジヒドロ-2H-1,3,4-チアジアジン-2-オン
  • (6R)-5-[1-(3,4-dimethoxybenzoyl)-1,2,3,4-tetrahydroquinolin-6-yl]-6-methyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one
Other name (3)：
  • EMD-57033
  • (R)-5-[[1-(3,4-Dimethoxybenzoyl)-1,2,3,4-tetrahydroquinolin]-6-yl]-3,6-dihydro-6-methyl-2H-1,3,4-thiadiazin-2-one
  • (+)-EMD-57033
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