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

*Links on SpectraBase are not permalinks.

Methyl 4-(4-ethoxyphenyl)-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Methyl 4-(4-ethoxyphenyl)-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
SpectraBase Compound ID 4fDXCQe3KU2
InChI InChI=1S/C25H22N2O5S/c1-4-31-18-12-10-16(11-13-18)19-14-33-24(21(19)25(29)30-3)26-23(28)20-15(2)32-27-22(20)17-8-6-5-7-9-17/h5-14H,4H2,1-3H3,(H,26,28)
InChIKey JMOGPMATVMHNAP-UHFFFAOYSA-N
Mol Weight 462.52 g/mol
Molecular Formula C25H22N2O5S
Exact Mass 462.124943 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID BuZab5WIBn6
Name Methyl 4-(4-ethoxyphenyl)-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.124942985 u
Formula C25H22N2O5S
InChI InChI=1S/C25H22N2O5S/c1-4-31-18-12-10-16(11-13-18)19-14-33-24(21(19)25(29)30-3)26-23(28)20-15(2)32-27-22(20)17-8-6-5-7-9-17/h5-14H,4H2,1-3H3,(H,26,28)
InChIKey JMOGPMATVMHNAP-UHFFFAOYSA-N
Molecular Weight 462.520 g/mol
SMILES N(C1=C(C(=CS1)C=1C=CC(=CC1)OCC)C(=O)OC)C(C=1C(=NOC1C)C1=CC=CC=C1)=O