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methyl (2E)-2-{4-methoxy-3-[(2-methylphenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

View entire compound with spectra: 2 NMR

methyl (2E)-2-{4-methoxy-3-[(2-methylphenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 52QoGFWgZKL
InChI InChI=1S/C31H28N2O5S/c1-19-10-8-9-13-24(19)38-18-23-16-21(14-15-25(23)36-3)17-26-29(34)33-28(22-11-6-5-7-12-22)27(30(35)37-4)20(2)32-31(33)39-26/h5-17,28H,18H2,1-4H3/b26-17+
InChIKey HVKZORNFYNNDML-YZSQISJMSA-N
Mol Weight 540.63 g/mol
Molecular Formula C31H28N2O5S
Exact Mass 540.171893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0Ch0Ok8SbL
Name Methyl (2E)-2-{4-methoxy-3-[(2-methylphenoxy)methyl]benzylidene}-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 540.171893179 u
Formula C31H28N2O5S
InChI InChI=1S/C31H28N2O5S/c1-19-10-8-9-13-24(19)38-18-23-16-21(14-15-25(23)36-3)17-26-29(34)33-28(22-11-6-5-7-12-22)27(30(35)37-4)20(2)32-31(33)39-26/h5-17,28H,18H2,1-4H3/b26-17+
InChIKey HVKZORNFYNNDML-YZSQISJMSA-N
Molecular Weight 540.634 g/mol
SMILES C=1C=CC(C2C(=C(C)N=C3N2C(\C(=C/C=2C=C(COC4=C(C)C=CC=C4)C(=CC2)OC)S3)=O)C(=O)OC)=CC1