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3-Thiophenecarboxylic acid, 5-[[(3-chloro-2-methylphenyl)amino]carbonyl]-2-[[(4-chlorophenyl)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-chlorophenyl)acetyl]amino]-4-methyl-, ethyl ester
SpectraBase Compound ID APNhXhHq6nP
InChI InChI=1S/C24H22Cl2N2O4S/c1-4-32-24(31)20-14(3)21(22(30)27-18-7-5-6-17(26)13(18)2)33-23(20)28-19(29)12-15-8-10-16(25)11-9-15/h5-11H,4,12H2,1-3H3,(H,27,30)(H,28,29)
InChIKey LPVKOIDOZCNYBR-UHFFFAOYSA-N
Mol Weight 505.42 g/mol
Molecular Formula C24H22Cl2N2O4S
Exact Mass 504.067734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IJFwIL5Nuqr
Name 3-Thiophenecarboxylic acid, 5-[[(3-chloro-2-methylphenyl)amino]carbonyl]-2-[[(4-chlorophenyl)acetyl]amino]-4-methyl-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.067733766 u
Formula C24H22Cl2N2O4S
InChI InChI=1S/C24H22Cl2N2O4S/c1-4-32-24(31)20-14(3)21(22(30)27-18-7-5-6-17(26)13(18)2)33-23(20)28-19(29)12-15-8-10-16(25)11-9-15/h5-11H,4,12H2,1-3H3,(H,27,30)(H,28,29)
InChIKey LPVKOIDOZCNYBR-UHFFFAOYSA-N
Molecular Weight 505.416 g/mol
SMILES N(C(C1=C(C(=C(S1)NC(=O)CC1=CC=C(C=C1)Cl)C(=O)OCC)C)=O)C=1C(=C(Cl)C=CC1)C