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3-Thiophenecarboxylic acid, 2-[[(2,4-dichlorophenoxy)acetyl]amino]-5-[[(2-fluorophenyl)amino]carbonyl]-4-methyl-, ethyl ester

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3-Thiophenecarboxylic acid, 2-[[(2,4-dichlorophenoxy)acetyl]amino]-5-[[(2-fluorophenyl)amino]carbonyl]-4-methyl-, ethyl ester
SpectraBase Compound ID CuD84Azwhlw
InChI InChI=1S/C23H19Cl2FN2O5S/c1-3-32-23(31)19-12(2)20(21(30)27-16-7-5-4-6-15(16)26)34-22(19)28-18(29)11-33-17-9-8-13(24)10-14(17)25/h4-10H,3,11H2,1-2H3,(H,27,30)(H,28,29)
InChIKey NNMMXIKHNWSZCG-UHFFFAOYSA-N
Mol Weight 525.38 g/mol
Molecular Formula C23H19Cl2FN2O5S
Exact Mass 524.037576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID In10vnL2p6n
Name 3-Thiophenecarboxylic acid, 2-[[(2,4-dichlorophenoxy)acetyl]amino]-5-[[(2-fluorophenyl)amino]carbonyl]-4-methyl-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.037576452 u
Formula C23H19Cl2FN2O5S
InChI InChI=1S/C23H19Cl2FN2O5S/c1-3-32-23(31)19-12(2)20(21(30)27-16-7-5-4-6-15(16)26)34-22(19)28-18(29)11-33-17-9-8-13(24)10-14(17)25/h4-10H,3,11H2,1-2H3,(H,27,30)(H,28,29)
InChIKey NNMMXIKHNWSZCG-UHFFFAOYSA-N
Molecular Weight 525.378 g/mol
SMILES N(C(C1=C(C(=C(S1)NC(=O)COC=1C(=CC(=CC1)Cl)Cl)C(=O)OCC)C)=O)C=1C(F)=CC=CC1