Ethyl 2-[(3-chlorobenzoyl)amino]-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate

SpectraBase Compound ID	6pgsvxATIKZ
InChI	InChI=1S/C23H21ClN2O4S/c1-4-30-23(29)18-14(3)19(21(28)25-17-11-6-5-8-13(17)2)31-22(18)26-20(27)15-9-7-10-16(24)12-15/h5-12H,4H2,1-3H3,(H,25,28)(H,26,27)
InChIKey	JVWOWSCVJIUAJU-UHFFFAOYSA-N Google Search
Mol Weight	456.94 g/mol
Molecular Formula	C23H21ClN2O4S
Exact Mass	456.091056 g/mol

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SpectraBase Spectrum ID	ENHiqgW6BX5
Name	Ethyl 2-[(3-chlorobenzoyl)amino]-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	456.091056034 u
Formula	C23H21ClN2O4S
InChI	InChI=1S/C23H21ClN2O4S/c1-4-30-23(29)18-14(3)19(21(28)25-17-11-6-5-8-13(17)2)31-22(18)26-20(27)15-9-7-10-16(24)12-15/h5-12H,4H2,1-3H3,(H,25,28)(H,26,27)
InChIKey	JVWOWSCVJIUAJU-UHFFFAOYSA-N
Molecular Weight	456.944 g/mol
SMILES	N(C(C1=C(C(=C(S1)NC(=O)C1=CC=CC(=C1)Cl)C(=O)OCC)C)=O)C1=CC=CC=C1C