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(2E)-5-[4-(difluoromethoxy)phenyl]-2-[(2-ethyl-3-pyrazolyl)methylidene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
SpectraBase Compound ID BGNkuhjrJDg
InChI InChI=1S/C23H22F2N4O4S/c1-4-28-15(10-11-26-28)12-17-20(30)29-19(14-6-8-16(9-7-14)33-22(24)25)18(21(31)32-5-2)13(3)27-23(29)34-17/h6-12,19,22H,4-5H2,1-3H3/b17-12+
InChIKey GYPAIVBJPPXUCO-SFQUDFHCSA-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 JhI8UFKdLPE
Name (2E)-5-[4-(difluoromethoxy)phenyl]-2-[(2-ethyl-3-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-[(2-ethylpyrazol-3-yl)methylene]-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl (2E)-5-[4-(difluoromethoxy)phenyl]-2-[(2-ethylpyrazol-3-yl)methylene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-5-[4-(difluoromethoxy)phenyl]-2-[(2-ethylpyrazol-3-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-[(2-ethylpyrazol-3-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/c1-4-28-15(10-11-26-28)12-17-20(30)29-19(14-6-8-16(9-7-14)33-22(24)25)18(21(31)32-5-2)13(3)27-23(29)34-17/h6-12,19,22H,4-5H2,1-3H3/b17-12+
InChIKey GYPAIVBJPPXUCO-SFQUDFHCSA-N
Molecular Weight 488.510 g/mol
SMILES CC[n]1c(\C=C/2C(=O)N3C(S2)=NC(=C(C(=O)OCC)C3c2ccc(cc2)OC(F)F)C)ccn1
SPLASH splash10-0002-7914100000-3d32926ea93543101129
Wiley ID 1445455