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

View entire compound with spectra: 2 NMR

4-{5-[(E)-(6-(ethoxycarbonyl)-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID C38yAwj3b0g
InChI InChI=1S/C28H22N2O6S/c1-3-35-27(34)23-16(2)29-28-30(24(23)18-7-5-4-6-8-18)25(31)22(37-28)15-20-13-14-21(36-20)17-9-11-19(12-10-17)26(32)33/h4-15,24H,3H2,1-2H3,(H,32,33)/b22-15+
InChIKey SLLFRGFUJSGQFU-PXLXIMEGSA-N
Mol Weight 514.55 g/mol
Molecular Formula C28H22N2O6S
Exact Mass 514.119858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ye1puEZgqR
Name 4-{5-[(E)-(6-(Ethoxycarbonyl)-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-A]pyrimidin-2(3H)-ylidene)methyl]-2-furyl}benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 514.119857604 u
Formula C28H22N2O6S
InChI InChI=1S/C28H22N2O6S/c1-3-35-27(34)23-16(2)29-28-30(24(23)18-7-5-4-6-8-18)25(31)22(37-28)15-20-13-14-21(36-20)17-9-11-19(12-10-17)26(32)33/h4-15,24H,3H2,1-2H3,(H,32,33)/b22-15+
InChIKey SLLFRGFUJSGQFU-PXLXIMEGSA-N
Molecular Weight 514.552 g/mol
SMILES OC(C=1C=CC(C=2OC(\C=C/3C(N4C(=NC(=C(C4C4=CC=CC=C4)C(=O)OCC)C)S3)=O)=CC2)=CC1)=O