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3-Thiophenecarboxylic acid, 5-[[(3-chloro-2-methylphenyl)amino]carbonyl]-2-[(2,2-dimethyl-1-oxopropyl)amino]-4-methyl-, ethyl ester

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3-Thiophenecarboxylic acid, 5-[[(3-chloro-2-methylphenyl)amino]carbonyl]-2-[(2,2-dimethyl-1-oxopropyl)amino]-4-methyl-, ethyl ester
SpectraBase Compound ID 7rOPxJ7cgzu
InChI InChI=1S/C21H25ClN2O4S/c1-7-28-19(26)15-12(3)16(29-18(15)24-20(27)21(4,5)6)17(25)23-14-10-8-9-13(22)11(14)2/h8-10H,7H2,1-6H3,(H,23,25)(H,24,27)
InChIKey XFCNZWNGVYKAFG-UHFFFAOYSA-N
Mol Weight 436.95 g/mol
Molecular Formula C21H25ClN2O4S
Exact Mass 436.122356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FZ71wEyttso
Name 3-Thiophenecarboxylic acid, 5-[[(3-chloro-2-methylphenyl)amino]carbonyl]-2-[(2,2-dimethyl-1-oxopropyl)amino]-4-methyl-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.122356163 u
Formula C21H25ClN2O4S
InChI InChI=1S/C21H25ClN2O4S/c1-7-28-19(26)15-12(3)16(29-18(15)24-20(27)21(4,5)6)17(25)23-14-10-8-9-13(22)11(14)2/h8-10H,7H2,1-6H3,(H,23,25)(H,24,27)
InChIKey XFCNZWNGVYKAFG-UHFFFAOYSA-N
Molecular Weight 436.954 g/mol
SMILES N(C(C1=C(C(=C(S1)NC(C(C)(C)C)=O)C(=O)OCC)C)=O)C=1C(=C(Cl)C=CC1)C