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

View entire compound with spectra: 2 NMR

3-Thiophenecarboxylic acid, 5-[[(3-chloro-2-methylphenyl)amino]carbonyl]-2-[(4-fluorobenzoyl)amino]-4-methyl-, ethyl ester
SpectraBase Compound ID CRI32Yojq5y
InChI InChI=1S/C23H20ClFN2O4S/c1-4-31-23(30)18-13(3)19(21(29)26-17-7-5-6-16(24)12(17)2)32-22(18)27-20(28)14-8-10-15(25)11-9-14/h5-11H,4H2,1-3H3,(H,26,29)(H,27,28)
InChIKey ALOSVUUWOBRTBF-UHFFFAOYSA-N
Mol Weight 474.93 g/mol
Molecular Formula C23H20ClFN2O4S
Exact Mass 474.081634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FitANLQJNlq
Name 3-Thiophenecarboxylic acid, 5-[[(3-chloro-2-methylphenyl)amino]carbonyl]-2-[(4-fluorobenzoyl)amino]-4-methyl-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.081634165 u
Formula C23H20ClFN2O4S
InChI InChI=1S/C23H20ClFN2O4S/c1-4-31-23(30)18-13(3)19(21(29)26-17-7-5-6-16(24)12(17)2)32-22(18)27-20(28)14-8-10-15(25)11-9-14/h5-11H,4H2,1-3H3,(H,26,29)(H,27,28)
InChIKey ALOSVUUWOBRTBF-UHFFFAOYSA-N
Molecular Weight 474.934 g/mol
SMILES N(C(C1=C(C(=C(S1)NC(C1=CC=C(C=C1)F)=O)C(=O)OCC)C)=O)C=1C(=C(Cl)C=CC1)C