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Ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylate

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Ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylate
SpectraBase Compound ID 7kQUtsaXR0E
InChI InChI=1S/C26H22ClFN2O6S/c1-5-35-26(32)21-15(14-9-10-18(33-3)19(11-14)34-4)12-37-25(21)29-24(31)20-13(2)36-30-23(20)22-16(27)7-6-8-17(22)28/h6-12H,5H2,1-4H3,(H,29,31)
InChIKey PGVDEOBFDAWYLI-UHFFFAOYSA-N
Mol Weight 544.98 g/mol
Molecular Formula C26H22ClFN2O6S
Exact Mass 544.087113 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C0Q3QbVJwF4
Name Ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 544.087113467 u
Formula C26H22ClFN2O6S
InChI InChI=1S/C26H22ClFN2O6S/c1-5-35-26(32)21-15(14-9-10-18(33-3)19(11-14)34-4)12-37-25(21)29-24(31)20-13(2)36-30-23(20)22-16(27)7-6-8-17(22)28/h6-12H,5H2,1-4H3,(H,29,31)
InChIKey PGVDEOBFDAWYLI-UHFFFAOYSA-N
Molecular Weight 544.981 g/mol
SMILES N(C1=C(C(=CS1)C=1C=C(OC)C(=CC1)OC)C(=O)OCC)C(C=1C(=NOC1C)C1=C(Cl)C=CC=C1F)=O