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ethyl (2Z)-2-{3-[(2,3-dimethylphenoxy)methyl]-4-methoxybenzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 7exAesLGoy4
InChI InChI=1S/C33H32N2O5S/c1-6-39-32(37)29-22(4)34-33-35(30(29)24-12-8-7-9-13-24)31(36)28(41-33)18-23-15-16-27(38-5)25(17-23)19-40-26-14-10-11-20(2)21(26)3/h7-18,30H,6,19H2,1-5H3/b28-18-
InChIKey IIVDGOPOYSASKY-VEILYXNESA-N
Mol Weight 568.7 g/mol
Molecular Formula C33H32N2O5S
Exact Mass 568.203193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ppIycX83GG
Name Ethyl (2Z)-2-{3-[(2,3-dimethylphenoxy)methyl]-4-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 568.203193307 u
Formula C33H32N2O5S
InChI InChI=1S/C33H32N2O5S/c1-6-39-32(37)29-22(4)34-33-35(30(29)24-12-8-7-9-13-24)31(36)28(41-33)18-23-15-16-27(38-5)25(17-23)19-40-26-14-10-11-20(2)21(26)3/h7-18,30H,6,19H2,1-5H3/b28-18-
InChIKey IIVDGOPOYSASKY-VEILYXNESA-N
Molecular Weight 568.688 g/mol
SMILES C1=2N(C(C(=C(N2)C)C(=O)OCC)C=2C=CC=CC2)C(\C(S1)=C\C=1C=C(COC=2C(=C(C)C=CC2)C)C(=CC1)OC)=O