Chem
J-GLOBAL ID：200907020369717058   Nikkaji number：J412.299B

EMD-53998

EMD-53998
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)
InChI key： IZLRMTJLQCLMKF-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C(=O)N1CCCc2cc(ccc12)C1=NNC(=O)SC1C
Systematic name  (3)：
  • 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
  • 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
  • 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 (2)：
  • EMD-53998
  • 5-[[1-(3,4-Dimethoxybenzoyl)-1,2,3,4-tetrahydroquinolin]6-yl]-3,6-dihydro-6-methyl-2H-1,3,4-thiadiazin-2-one
CAS registry number： 120223-04-3
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