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Ethyl 2-({[6-bromo-2-(4-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-methoxyphenyl)-3-thiophenecarboxylate

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Ethyl 2-({[6-bromo-2-(4-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-methoxyphenyl)-3-thiophenecarboxylate
SpectraBase Compound ID FAkS48RpVOc
InChI InChI=1S/C31H25BrN2O5S/c1-4-39-31(36)28-25(18-5-10-21(37-2)11-6-18)17-40-30(28)34-29(35)24-16-27(19-7-12-22(38-3)13-8-19)33-26-14-9-20(32)15-23(24)26/h5-17H,4H2,1-3H3,(H,34,35)
InChIKey LDBPZLMRUXUSNL-UHFFFAOYSA-N
Mol Weight 617.51 g/mol
Molecular Formula C31H25BrN2O5S
Exact Mass 616.066756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HMcN6P4sOGy
Name Ethyl 2-({[6-bromo-2-(4-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-methoxyphenyl)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 616.066756082 u
Formula C31H25BrN2O5S
InChI InChI=1S/C31H25BrN2O5S/c1-4-39-31(36)28-25(18-5-10-21(37-2)11-6-18)17-40-30(28)34-29(35)24-16-27(19-7-12-22(38-3)13-8-19)33-26-14-9-20(32)15-23(24)26/h5-17H,4H2,1-3H3,(H,34,35)
InChIKey LDBPZLMRUXUSNL-UHFFFAOYSA-N
Molecular Weight 617.514 g/mol
SMILES N(C1=C(C(=CS1)C=1C=CC(=CC1)OC)C(=O)OCC)C(C=1C=2C(=CC=C(C2)Br)N=C(C1)C1=CC=C(C=C1)OC)=O