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Diisopropyl 5-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate

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Diisopropyl 5-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate
SpectraBase Compound ID 1NwYNeWxc9t
InChI InChI=1S/C31H32N2O7S/c1-16(2)39-30(35)26-18(5)27(31(36)40-17(3)4)41-29(26)33-28(34)21-15-23(32-22-11-9-8-10-20(21)22)19-12-13-24(37-6)25(14-19)38-7/h8-17H,1-7H3,(H,33,34)
InChIKey QZQQMBDACMTNDT-UHFFFAOYSA-N
Mol Weight 576.7 g/mol
Molecular Formula C31H32N2O7S
Exact Mass 576.193023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5VteEzKHvuN
Name Diisopropyl 5-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 576.193022545 u
Formula C31H32N2O7S
InChI InChI=1S/C31H32N2O7S/c1-16(2)39-30(35)26-18(5)27(31(36)40-17(3)4)41-29(26)33-28(34)21-15-23(32-22-11-9-8-10-20(21)22)19-12-13-24(37-6)25(14-19)38-7/h8-17H,1-7H3,(H,33,34)
InChIKey QZQQMBDACMTNDT-UHFFFAOYSA-N
Molecular Weight 576.664 g/mol
SMILES N(C1=C(C(=C(C(OC(C)C)=O)S1)C)C(OC(C)C)=O)C(C=1C=C(C2=CC(OC)=C(C=C2)OC)N=C2C1C=CC=C2)=O