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ethyl (2E)-2-{4-methoxy-3-[(2,4,6-trichlorophenoxy)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

ethyl (2E)-2-{4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 7yLd6rp6z1z
InChI InChI=1S/C31H25Cl3N2O5S/c1-4-40-30(38)26-17(2)35-31-36(27(26)19-8-6-5-7-9-19)29(37)25(42-31)13-18-10-11-24(39-3)20(12-18)16-41-28-22(33)14-21(32)15-23(28)34/h5-15,27H,4,16H2,1-3H3/b25-13+
InChIKey HHHKQIMAIQEMDG-DHRITJCHSA-N
Mol Weight 643.97 g/mol
Molecular Formula C31H25Cl3N2O5S
Exact Mass 642.054976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6AR0i4tr7MS
Name Ethyl (2E)-2-{4-methoxy-3-[(2,4,6-trichlorophenoxy)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 642.054976182 u
Formula C31H25Cl3N2O5S
InChI InChI=1S/C31H25Cl3N2O5S/c1-4-40-30(38)26-17(2)35-31-36(27(26)19-8-6-5-7-9-19)29(37)25(42-31)13-18-10-11-24(39-3)20(12-18)16-41-28-22(33)14-21(32)15-23(28)34/h5-15,27H,4,16H2,1-3H3/b25-13+
InChIKey HHHKQIMAIQEMDG-DHRITJCHSA-N
Molecular Weight 643.969 g/mol
SMILES C1=CC=C(C2C(=C(C)N=C3N2C(\C(=C/C=2C=C(COC=4C(=CC(Cl)=CC4Cl)Cl)C(=CC2)OC)S3)=O)C(=O)OCC)C=C1