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(2E)-5-[4-(difluoromethoxy)phenyl]-2-[(1,3-dimethyl-4-pyrazolyl)methylidene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
SpectraBase Compound ID 8lv96VMhjWR
InChI InChI=1S/C23H22F2N4O4S/c1-5-32-21(31)18-13(3)26-23-29(19(18)14-6-8-16(9-7-14)33-22(24)25)20(30)17(34-23)10-15-11-28(4)27-12(15)2/h6-11,19,22H,5H2,1-4H3/b17-10+
InChIKey AKVIFRFKMDWJMD-LICLKQGHSA-N
Mol Weight 488.51 g/mol
Molecular Formula C23H22F2N4O4S
Exact Mass 488.132983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID X9XAtwhcKv
Name (2E)-5-[4-(difluoromethoxy)phenyl]-2-[(1,3-dimethyl-4-pyrazolyl)methylidene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
Alternate Name(s) (2E)-5-[4-(difluoromethoxy)phenyl]-2-[(1,3-dimethylpyrazol-4-yl)methylene]-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl (2E)-5-[4-(difluoromethoxy)phenyl]-2-[(1,3-dimethylpyrazol-4-yl)methylene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-5-[4-(difluoromethoxy)phenyl]-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-5-[4-[bis(fluoranyl)methoxy]phenyl]-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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Formula C23H22F2N4O4S
InChI InChI=1S/C23H22F2N4O4S/c1-5-32-21(31)18-13(3)26-23-29(19(18)14-6-8-16(9-7-14)33-22(24)25)20(30)17(34-23)10-15-11-28(4)27-12(15)2/h6-11,19,22H,5H2,1-4H3/b17-10+
InChIKey AKVIFRFKMDWJMD-LICLKQGHSA-N
Molecular Weight 488.510 g/mol
SMILES c1(\C=C/2C(N3C(c4ccc(cc4)OC(F)F)C(=C(C)N=C3S2)C(=O)OCC)=O)c[n](nc1C)C
SPLASH splash10-0udj-6913000000-e07684a20b38bbcb6554
Wiley ID 1445461