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

SpectraBase Compound ID	KfH6f0aUMFs
InChI	InChI=1S/C24H23FN2O4S/c1-5-31-24(30)19-15(4)20(22(29)26-18-12-13(2)10-11-14(18)3)32-23(19)27-21(28)16-8-6-7-9-17(16)25/h6-12H,5H2,1-4H3,(H,26,29)(H,27,28)
InChIKey	BQCQYBXEXAMAKN-UHFFFAOYSA-N Google Search
Mol Weight	454.52 g/mol
Molecular Formula	C24H23FN2O4S
Exact Mass	454.136257 g/mol

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SpectraBase Spectrum ID	3i4of8ZSxgO
Name	3-Thiophenecarboxylic acid, 5-[[(2,5-dimethylphenyl)amino]carbonyl]-2-[(2-fluorobenzoyl)amino]-4-methyl-, ethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	454.136256562 u
Formula	C24H23FN2O4S
InChI	InChI=1S/C24H23FN2O4S/c1-5-31-24(30)19-15(4)20(22(29)26-18-12-13(2)10-11-14(18)3)32-23(19)27-21(28)16-8-6-7-9-17(16)25/h6-12H,5H2,1-4H3,(H,26,29)(H,27,28)
InChIKey	BQCQYBXEXAMAKN-UHFFFAOYSA-N
Molecular Weight	454.516 g/mol
SMILES	N(C(C1=C(C(=C(S1)NC(C=1C(F)=CC=CC1)=O)C(=O)OCC)C)=O)C=1C(=CC=C(C1)C)C