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2-Tert-butyl 4-ethyl 3-methyl-5-({[2-(2-methylphenyl)-4-quinolinyl]carbonyl}amino)-2,4-thiophenedicarboxylate

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2-Tert-butyl 4-ethyl 3-methyl-5-({[2-(2-methylphenyl)-4-quinolinyl]carbonyl}amino)-2,4-thiophenedicarboxylate
SpectraBase Compound ID 5y7pkHfykFJ
InChI InChI=1S/C30H30N2O5S/c1-7-36-28(34)24-18(3)25(29(35)37-30(4,5)6)38-27(24)32-26(33)21-16-23(19-13-9-8-12-17(19)2)31-22-15-11-10-14-20(21)22/h8-16H,7H2,1-6H3,(H,32,33)
InChIKey TWQLJCJBMOEGOH-UHFFFAOYSA-N
Mol Weight 530.64 g/mol
Molecular Formula C30H30N2O5S
Exact Mass 530.187543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3R7xcsaJjR4
Name 2-Tert-butyl 4-ethyl 3-methyl-5-({[2-(2-methylphenyl)-4-quinolinyl]carbonyl}amino)-2,4-thiophenedicarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 530.187543243 u
Formula C30H30N2O5S
InChI InChI=1S/C30H30N2O5S/c1-7-36-28(34)24-18(3)25(29(35)37-30(4,5)6)38-27(24)32-26(33)21-16-23(19-13-9-8-12-17(19)2)31-22-15-11-10-14-20(21)22/h8-16H,7H2,1-6H3,(H,32,33)
InChIKey TWQLJCJBMOEGOH-UHFFFAOYSA-N
Molecular Weight 530.639 g/mol
SMILES N(C1=C(C(C)=C(S1)C(OC(C)(C)C)=O)C(=O)OCC)C(C1=CC(C=2C(C)=CC=CC2)=NC2=C1C=CC=C2)=O