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Methyl 2-{[2-(4-chlorophenoxy)-2-methylpropanoyl]amino}-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Methyl 2-{[2-(4-chlorophenoxy)-2-methylpropanoyl]amino}-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
SpectraBase Compound ID 8fjn4meAIkr
InChI InChI=1S/C25H25ClN2O5S/c1-14-8-6-7-9-18(14)27-21(29)20-15(2)19(23(30)32-5)22(34-20)28-24(31)25(3,4)33-17-12-10-16(26)11-13-17/h6-13H,1-5H3,(H,27,29)(H,28,31)
InChIKey FEKIIDUIWIUTOX-UHFFFAOYSA-N
Mol Weight 501.0 g/mol
Molecular Formula C25H25ClN2O5S
Exact Mass 500.117271 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GCF26EiAjjT
Name Methyl 2-{[2-(4-chlorophenoxy)-2-methylpropanoyl]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 500.117270782 u
Formula C25H25ClN2O5S
InChI InChI=1S/C25H25ClN2O5S/c1-14-8-6-7-9-18(14)27-21(29)20-15(2)19(23(30)32-5)22(34-20)28-24(31)25(3,4)33-17-12-10-16(26)11-13-17/h6-13H,1-5H3,(H,27,29)(H,28,31)
InChIKey FEKIIDUIWIUTOX-UHFFFAOYSA-N
Molecular Weight 500.997 g/mol
SMILES N(C(C1=C(C(=C(S1)NC(C(OC=1C=CC(=CC1)Cl)(C)C)=O)C(=O)OC)C)=O)C1=C(C)C=CC=C1