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Methyl 5-(anilinocarbonyl)-4-methyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Methyl 5-(anilinocarbonyl)-4-methyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate
SpectraBase Compound ID CkXreRd9jS9
InChI InChI=1S/C22H20N2O4S/c1-13-8-7-9-15(12-13)19(25)24-21-17(22(27)28-3)14(2)18(29-21)20(26)23-16-10-5-4-6-11-16/h4-12H,1-3H3,(H,23,26)(H,24,25)
InChIKey UMPNQFLHRNMRED-UHFFFAOYSA-N
Mol Weight 408.47 g/mol
Molecular Formula C22H20N2O4S
Exact Mass 408.114378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8zRFslbvyV8
Name Methyl 5-(anilinocarbonyl)-4-methyl-2-[(3-methylbenzoyl)amino]-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.114378302 u
Formula C22H20N2O4S
InChI InChI=1S/C22H20N2O4S/c1-13-8-7-9-15(12-13)19(25)24-21-17(22(27)28-3)14(2)18(29-21)20(26)23-16-10-5-4-6-11-16/h4-12H,1-3H3,(H,23,26)(H,24,25)
InChIKey UMPNQFLHRNMRED-UHFFFAOYSA-N
Molecular Weight 408.472 g/mol
SMILES N(C(C1=C(C(=C(S1)NC(C=1C=C(C)C=CC1)=O)C(=O)OC)C)=O)C=1C=CC=CC1