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CHEBI:42310 - 5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-ONE

Default Structure
ChEBI IDCHEBI:42310
ChEBI Name5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-ONE
Stars
DownloadsMolfile
FormulaC22H23N3O4S
Net Charge0
Average Mass425.510
Monoisotopic Mass425.14093
SMILES[H]c1c([H])c(C(=O)N2c3c([H])c([H])c(C4=NN([H])C(=O)S[C@]4([H])C([H])([H])[H])c([H])c3C([H])([H])C([H])([H])C2([H])[H])c([H])c(OC([H])([H])[H])c1OC([H])([H])[H]
InChIInChI=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
InChIKeyIZLRMTJLQCLMKF-CYBMUJFWSA-N
ChEBI Ontology
Outgoing Relation(s)
5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-ONE (CHEBI:42310) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-ONEPDBeChem
(6R)-5-{1-[(3,4-dimethoxyphenyl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}-6-methyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-onePDBeChem
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