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

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Ethyl 4-(4-chlorophenyl)-2-({[2-(2-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-3-thiophenecarboxylate
SpectraBase Compound ID 6sOLzaMc3LX
InChI InChI=1S/C30H23ClN2O4S/c1-3-37-30(35)27-23(18-12-14-19(31)15-13-18)17-38-29(27)33-28(34)22-16-25(21-9-5-7-11-26(21)36-2)32-24-10-6-4-8-20(22)24/h4-17H,3H2,1-2H3,(H,33,34)
InChIKey LADXQZNVXPDBIS-UHFFFAOYSA-N
Mol Weight 543.04 g/mol
Molecular Formula C30H23ClN2O4S
Exact Mass 542.106706 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64ZDK68k5cO
Name Ethyl 4-(4-chlorophenyl)-2-({[2-(2-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 542.106706099 u
Formula C30H23ClN2O4S
InChI InChI=1S/C30H23ClN2O4S/c1-3-37-30(35)27-23(18-12-14-19(31)15-13-18)17-38-29(27)33-28(34)22-16-25(21-9-5-7-11-26(21)36-2)32-24-10-6-4-8-20(22)24/h4-17H,3H2,1-2H3,(H,33,34)
InChIKey LADXQZNVXPDBIS-UHFFFAOYSA-N
Molecular Weight 543.037 g/mol
SMILES N(C1=C(C(=CS1)C=1C=CC(=CC1)Cl)C(=O)OCC)C(C1=CC(=NC2=CC=CC=C12)C1=C(OC)C=CC=C1)=O