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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

View entire compound with spectra: 2 NMR, and 1 MS (GC)

(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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ErFYNtGj4mS
Name (2E)-2-(3-Fluorobenzylidene)-3-keto-5-(3-methoxyphenyl)-7-methyl-5H-thiazolo[3,2-A]pyrimidine-6-carboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.120606497 u
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/C=1C=C(F)C=CC1)C1=CC(OC)=CC=C1)=O