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ethyl (2Z)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2-[(2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID FjQN5zgWvDH
InChI InChI=1S/C27H26N2O5S/c1-5-34-26(31)23-17(2)28-27-29(24(23)19-14-15-20(32-3)21(16-19)33-4)25(30)22(35-27)13-9-12-18-10-7-6-8-11-18/h6-16,24H,5H2,1-4H3/b12-9+,22-13-
InChIKey RZKZXRMBTJMSGJ-IKVHAALSSA-N
Mol Weight 490.57 g/mol
Molecular Formula C27H26N2O5S
Exact Mass 490.156243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID RCFwSTz1iB
Name Ethyl (2Z)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2-[(2E)-3-phenyl-2-propenylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 490.156243114 u
Formula C27H26N2O5S
InChI InChI=1S/C27H26N2O5S/c1-5-34-26(31)23-17(2)28-27-29(24(23)19-14-15-20(32-3)21(16-19)33-4)25(30)22(35-27)13-9-12-18-10-7-6-8-11-18/h6-16,24H,5H2,1-4H3/b12-9+,22-13-
InChIKey RZKZXRMBTJMSGJ-IKVHAALSSA-N
Molecular Weight 490.574 g/mol
SMILES C=1C=CC(\C=C\C=C\2C(N3C(=NC(=C(C3C3=CC(OC)=C(C=C3)OC)C(=O)OCC)C)S2)=O)=CC1