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3-({4-[(E)-(6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid

View entire compound with spectra: 2 NMR

3-({4-[(E)-(6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
SpectraBase Compound ID C7lVdIvdx9q
InChI InChI=1S/C33H30N2O8S/c1-5-42-32(39)28-19(2)34-33-35(29(28)22-10-12-24(40-3)13-11-22)30(36)27(44-33)17-20-9-14-25(26(16-20)41-4)43-18-21-7-6-8-23(15-21)31(37)38/h6-17,29H,5,18H2,1-4H3,(H,37,38)/b27-17+
InChIKey QQINXELBGIEVQM-WPWMEQJKSA-N
Mol Weight 614.7 g/mol
Molecular Formula C33H30N2O8S
Exact Mass 614.172287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4CpSLbzOrfD
Name 3-({4-[(E)-(6-(Ethoxycarbonyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-2(3H)-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 614.172287100 u
Formula C33H30N2O8S
InChI InChI=1S/C33H30N2O8S/c1-5-42-32(39)28-19(2)34-33-35(29(28)22-10-12-24(40-3)13-11-22)30(36)27(44-33)17-20-9-14-25(26(16-20)41-4)43-18-21-7-6-8-23(15-21)31(37)38/h6-17,29H,5,18H2,1-4H3,(H,37,38)/b27-17+
InChIKey QQINXELBGIEVQM-WPWMEQJKSA-N
Molecular Weight 614.669 g/mol
SMILES OC(C1=CC(COC2=CC=C(\C=C/3C(N4C(=NC(=C(C4C4=CC=C(C=C4)OC)C(=O)OCC)C)S3)=O)C=C2OC)=CC=C1)=O