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

*Links on SpectraBase are not permalinks.

Methyl 3-({[2-(3-bromophenyl)-4-quinolinyl]carbonyl}amino)-2-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Methyl 3-({[2-(3-bromophenyl)-4-quinolinyl]carbonyl}amino)-2-thiophenecarboxylate
SpectraBase Compound ID 8ykTrdY52CB
InChI InChI=1S/C22H15BrN2O3S/c1-28-22(27)20-18(9-10-29-20)25-21(26)16-12-19(13-5-4-6-14(23)11-13)24-17-8-3-2-7-15(16)17/h2-12H,1H3,(H,25,26)
InChIKey XJQVRIQPCNCYJB-UHFFFAOYSA-N
Mol Weight 467.34 g/mol
Molecular Formula C22H15BrN2O3S
Exact Mass 465.998677 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 H6Xaf6mzxub
Name Methyl 3-({[2-(3-bromophenyl)-4-quinolinyl]carbonyl}amino)-2-thiophenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.998676522 u
Formula C22H15BrN2O3S
InChI InChI=1S/C22H15BrN2O3S/c1-28-22(27)20-18(9-10-29-20)25-21(26)16-12-19(13-5-4-6-14(23)11-13)24-17-8-3-2-7-15(16)17/h2-12H,1H3,(H,25,26)
InChIKey XJQVRIQPCNCYJB-UHFFFAOYSA-N
Molecular Weight 467.337 g/mol
SMILES N(C1=C(C(=O)OC)SC=C1)C(C1=CC(C2=CC(Br)=CC=C2)=NC=2C1=CC=CC2)=O