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(2E)-5-[4-(difluoromethoxy)phenyl]-3-keto-7-methyl-2-[(1-methylpyrazol-4-yl)methylene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
SpectraBase Compound ID 2Lbmc3CDXji
InChI InChI=1S/C22H20F2N4O4S/c1-4-31-20(30)17-12(2)26-22-28(18(17)14-5-7-15(8-6-14)32-21(23)24)19(29)16(33-22)9-13-10-25-27(3)11-13/h5-11,18,21H,4H2,1-3H3/b16-9+
InChIKey NWYLANOJOYJMAW-CXUHLZMHSA-N
Mol Weight 474.48 g/mol
Molecular Formula C22H20F2N4O4S
Exact Mass 474.117333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4v7kQOEZNXO
Name (2E)-5-[4-(difluoromethoxy)phenyl]-3-keto-7-methyl-2-[(1-methylpyrazol-4-yl)methylene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
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Formula C22H20F2N4O4S
InChI InChI=1S/C22H20F2N4O4S/c1-4-31-20(30)17-12(2)26-22-28(18(17)14-5-7-15(8-6-14)32-21(23)24)19(29)16(33-22)9-13-10-25-27(3)11-13/h5-11,18,21H,4H2,1-3H3/b16-9+
InChIKey NWYLANOJOYJMAW-CXUHLZMHSA-N
Molecular Weight 474.483 g/mol
SMILES c1(\C=C/2C(N3C(C(=C(C)N=C3S2)C(=O)OCC)c2ccc(cc2)OC(F)F)=O)cn[n](c1)C
SPLASH splash10-00li-9813100000-c47626239c9d67220007
Synonyms (2E)-5-[4-(difluoromethoxy)phenyl]-7-methyl-2-[(1-methyl-4-pyrazolyl)methylidene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl (2E)-5-[4-(difluoromethoxy)phenyl]-7-methyl-2-[(1-methylpyrazol-4-yl)methylene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-5-[4-(difluoromethoxy)phenyl]-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-5-[4-[bis(fluoranyl)methoxy]phenyl]-7-methyl-2-[(1-methylpyrazol-4-yl)methylidene]-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Wiley ID 1445456