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2-(3-Bromo-4-isopropoxy-benzylidene)-5-(4-fluoro-phenyl)-7-methyl-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
SpectraBase Compound ID IoStM7aHHNL
InChI InChI=1S/C26H24BrFN2O4S/c1-5-33-25(32)22-15(4)29-26-30(23(22)17-7-9-18(28)10-8-17)24(31)21(35-26)13-16-6-11-20(19(27)12-16)34-14(2)3/h6-14,23H,5H2,1-4H3/b21-13+
InChIKey LGZMXLSEGDQOKE-FYJGNVAPSA-N
Mol Weight 559.45 g/mol
Molecular Formula C26H24BrFN2O4S
Exact Mass 558.06242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Gnva8xixU
Name 2-(3-Bromo-4-isopropoxy-benzylidene)-5-(4-fluoro-phenyl)-7-methyl-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
Alternate Name(s) Ethyl (2E)-2-(3-bromo-4-isopropoxybenzylidene)-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl 2-(3-bromo-4-isopropoxybenzylidene)-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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Formula C26H24BrFN2O4S
InChI InChI=1S/C26H24BrFN2O4S/c1-5-33-25(32)22-15(4)29-26-30(23(22)17-7-9-18(28)10-8-17)24(31)21(35-26)13-16-6-11-20(19(27)12-16)34-14(2)3/h6-14,23H,5H2,1-4H3/b21-13+
InChIKey LGZMXLSEGDQOKE-FYJGNVAPSA-N
Molecular Weight 559.450 g/mol
SMILES CCOC(C=1C(N2C(=NC1C)S\C(C2=O)=C/c1cc(Br)c(cc1)OC(C)C)c1ccc(cc1)F)=O
SPLASH splash10-0f76-4924100000-3cdc8090d8b844df6d29
Wiley ID 1454422