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ethyl (2E)-2-(4-isopropoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

View entire compound with spectra: 2 NMR

ethyl (2E)-2-(4-isopropoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID TgKvpe6LFF
InChI InChI=1S/C27H28N2O5S/c1-6-33-26(31)23-17(4)28-27-29(24(23)19-9-13-20(32-5)14-10-19)25(30)22(35-27)15-18-7-11-21(12-8-18)34-16(2)3/h7-16,24H,6H2,1-5H3/b22-15+
InChIKey SNUWOLUJFYGWII-PXLXIMEGSA-N
Mol Weight 492.59 g/mol
Molecular Formula C27H28N2O5S
Exact Mass 492.171893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uug7rtLpGB
Name Ethyl (2E)-2-(4-isopropoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.171893179 u
Formula C27H28N2O5S
InChI InChI=1S/C27H28N2O5S/c1-6-33-26(31)23-17(4)28-27-29(24(23)19-9-13-20(32-5)14-10-19)25(30)22(35-27)15-18-7-11-21(12-8-18)34-16(2)3/h7-16,24H,6H2,1-5H3/b22-15+
InChIKey SNUWOLUJFYGWII-PXLXIMEGSA-N
Molecular Weight 492.590 g/mol
SMILES CCOC(C=1C(N2C(=NC1C)S\C(C2=O)=C/C1=CC=C(OC(C)C)C=C1)C=1C=CC(OC)=CC1)=O