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3-Thiophenecarboxylic acid, 5-[[(3-chloro-2-methylphenyl)amino]carbonyl]-2-[[(4-chlorophenoxy)acetyl]amino]-4-methyl-, ethyl ester

View entire compound with spectra: 2 NMR

3-Thiophenecarboxylic acid, 5-[[(3-chloro-2-methylphenyl)amino]carbonyl]-2-[[(4-chlorophenoxy)acetyl]amino]-4-methyl-, ethyl ester
SpectraBase Compound ID 7oS1VHvjhiV
InChI InChI=1S/C24H22Cl2N2O5S/c1-4-32-24(31)20-14(3)21(22(30)27-18-7-5-6-17(26)13(18)2)34-23(20)28-19(29)12-33-16-10-8-15(25)9-11-16/h5-11H,4,12H2,1-3H3,(H,27,30)(H,28,29)
InChIKey WWDODWSCCFZFAM-UHFFFAOYSA-N
Mol Weight 521.42 g/mol
Molecular Formula C24H22Cl2N2O5S
Exact Mass 520.062648 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HejH2k1rlZW
Name 3-Thiophenecarboxylic acid, 5-[[(3-chloro-2-methylphenyl)amino]carbonyl]-2-[[(4-chlorophenoxy)acetyl]amino]-4-methyl-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 520.062648385 u
Formula C24H22Cl2N2O5S
InChI InChI=1S/C24H22Cl2N2O5S/c1-4-32-24(31)20-14(3)21(22(30)27-18-7-5-6-17(26)13(18)2)34-23(20)28-19(29)12-33-16-10-8-15(25)9-11-16/h5-11H,4,12H2,1-3H3,(H,27,30)(H,28,29)
InChIKey WWDODWSCCFZFAM-UHFFFAOYSA-N
Molecular Weight 521.415 g/mol
SMILES N(C(C1=C(C(=C(S1)NC(=O)COC=1C=CC(=CC1)Cl)C(=O)OCC)C)=O)C=1C(=C(Cl)C=CC1)C