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ethyl (2Z)-2-(4-hydroxy-3-methoxybenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID CL6DCyGudb9
InChI InChI=1S/C24H22N2O5S/c1-4-31-23(29)20-14(2)25-24-26(21(20)16-8-6-5-7-9-16)22(28)19(32-24)13-15-10-11-17(27)18(12-15)30-3/h5-13,21,27H,4H2,1-3H3/b19-13-
InChIKey ILIBXICKJCWOTF-UYRXBGFRSA-N
Mol Weight 450.51 g/mol
Molecular Formula C24H22N2O5S
Exact Mass 450.124943 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2NvAbko4LZN
Name Ethyl (2Z)-2-(4-hydroxy-3-methoxybenzylidene)-7-methyl-3-oxo-5-phenyl-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 450.124942985 u
Formula C24H22N2O5S
InChI InChI=1S/C24H22N2O5S/c1-4-31-23(29)20-14(2)25-24-26(21(20)16-8-6-5-7-9-16)22(28)19(32-24)13-15-10-11-17(27)18(12-15)30-3/h5-13,21,27H,4H2,1-3H3/b19-13-
InChIKey ILIBXICKJCWOTF-UYRXBGFRSA-N
Molecular Weight 450.509 g/mol
SMILES OC1=CC=C(\C=C\2C(N3C(=NC(=C(C3C3=CC=CC=C3)C(=O)OCC)C)S2)=O)C=C1OC