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

View entire compound with spectra: 2 NMR

{4-[(E)-(5-(4-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid
SpectraBase Compound ID GXSjAmmzAPv
InChI InChI=1S/C25H21ClN2O6S/c1-3-33-24(32)21-14(2)27-25-28(22(21)16-6-8-17(26)9-7-16)23(31)19(35-25)12-15-4-10-18(11-5-15)34-13-20(29)30/h4-12,22H,3,13H2,1-2H3,(H,29,30)/b19-12+
InChIKey XSQDEOJNULNBPG-XDHOZWIPSA-N
Mol Weight 512.96 g/mol
Molecular Formula C25H21ClN2O6S
Exact Mass 512.080885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HvMvPXCLeVE
Name {4-[(E)-(5-(4-Chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-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 512.080885272 u
Formula C25H21ClN2O6S
InChI InChI=1S/C25H21ClN2O6S/c1-3-33-24(32)21-14(2)27-25-28(22(21)16-6-8-17(26)9-7-16)23(31)19(35-25)12-15-4-10-18(11-5-15)34-13-20(29)30/h4-12,22H,3,13H2,1-2H3,(H,29,30)/b19-12+
InChIKey XSQDEOJNULNBPG-XDHOZWIPSA-N
Molecular Weight 512.964 g/mol
SMILES OC(COC1=CC=C(\C=C/2C(N3C(=NC(=C(C3C3=CC=C(C=C3)Cl)C(=O)OCC)C)S2)=O)C=C1)=O