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{3-[(Z)-(6-(ethoxycarbonyl)-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid

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{3-[(Z)-(6-(ethoxycarbonyl)-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid
SpectraBase Compound ID 4q6wyo6dLUI
InChI InChI=1S/C25H22N2O6S/c1-3-32-24(31)21-15(2)26-25-27(22(21)17-9-5-4-6-10-17)23(30)19(34-25)13-16-8-7-11-18(12-16)33-14-20(28)29/h4-13,22H,3,14H2,1-2H3,(H,28,29)/b19-13-
InChIKey RYISJIZOLZLLOD-UYRXBGFRSA-N
Mol Weight 478.52 g/mol
Molecular Formula C25H22N2O6S
Exact Mass 478.119858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6lInum1dR8S
Name {3-[(Z)-(6-(Ethoxycarbonyl)-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-A]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.119857604 u
Formula C25H22N2O6S
InChI InChI=1S/C25H22N2O6S/c1-3-32-24(31)21-15(2)26-25-27(22(21)17-9-5-4-6-10-17)23(30)19(34-25)13-16-8-7-11-18(12-16)33-14-20(28)29/h4-13,22H,3,14H2,1-2H3,(H,28,29)/b19-13-
InChIKey RYISJIZOLZLLOD-UYRXBGFRSA-N
Molecular Weight 478.519 g/mol
SMILES OC(COC1=CC(\C=C\2C(N3C(=NC(=C(C3C3=CC=CC=C3)C(=O)OCC)C)S2)=O)=CC=C1)=O