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(2E)-2-(3-fluorobenzylidene)-3-keto-5-(3-methoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
SpectraBase Compound ID LSiXkYMLLFt
InChI InChI=1S/C24H21FN2O4S/c1-4-31-23(29)20-14(2)26-24-27(21(20)16-8-6-10-18(13-16)30-3)22(28)19(32-24)12-15-7-5-9-17(25)11-15/h5-13,21H,4H2,1-3H3/b19-12+
InChIKey ZSTACHGTOOUKEL-XDHOZWIPSA-N
Mol Weight 452.5 g/mol
Molecular Formula C24H21FN2O4S
Exact Mass 452.120606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jU0yKHR01n
Name (2E)-2-(3-fluorobenzylidene)-3-keto-5-(3-methoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
Alternate Name(s) (2E)-2-[(3-fluorophenyl)methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl (2E)-2-[(3-fluorophenyl)methylene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-2-[(3-fluorophenyl)methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-2-[(3-fluorophenyl)methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl 2-(3-fluorobenzylidene)-5-(3-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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Formula C24H21FN2O4S
InChI InChI=1S/C24H21FN2O4S/c1-4-31-23(29)20-14(2)26-24-27(21(20)16-8-6-10-18(13-16)30-3)22(28)19(32-24)12-15-7-5-9-17(25)11-15/h5-13,21H,4H2,1-3H3/b19-12+
InChIKey ZSTACHGTOOUKEL-XDHOZWIPSA-N
Molecular Weight 452.500 g/mol
SMILES CCOC(C=1C(N2C(=NC1C)S\C(C2=O)=C/c1cc(F)ccc1)c1cc(OC)ccc1)=O
SPLASH splash10-0f6t-3935100000-fed874c24ea18af081ce
Wiley ID 1454415