For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Methyl 4-methyl-2-[(phenylacetyl)amino]-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Methyl 4-methyl-2-[(phenylacetyl)amino]-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
SpectraBase Compound ID Ik1kMgt0NzS
InChI InChI=1S/C23H22N2O4S/c1-14-9-7-8-12-17(14)24-21(27)20-15(2)19(23(28)29-3)22(30-20)25-18(26)13-16-10-5-4-6-11-16/h4-12H,13H2,1-3H3,(H,24,27)(H,25,26)
InChIKey XQYQYMFZSHZSLQ-UHFFFAOYSA-N
Mol Weight 422.5 g/mol
Molecular Formula C23H22N2O4S
Exact Mass 422.130028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1QY9mIOOr5p
Name Methyl 4-methyl-2-[(phenylacetyl)amino]-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.130028366 u
Formula C23H22N2O4S
InChI InChI=1S/C23H22N2O4S/c1-14-9-7-8-12-17(14)24-21(27)20-15(2)19(23(28)29-3)22(30-20)25-18(26)13-16-10-5-4-6-11-16/h4-12H,13H2,1-3H3,(H,24,27)(H,25,26)
InChIKey XQYQYMFZSHZSLQ-UHFFFAOYSA-N
Molecular Weight 422.499 g/mol
SMILES N(C(C1=C(C(=C(S1)NC(=O)CC1=CC=CC=C1)C(=O)OC)C)=O)C1=C(C)C=CC=C1