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

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Diisopropyl 5-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate
SpectraBase Compound ID 2KvCGdYT292
InChI InChI=1S/C31H32N2O5S/c1-16(2)37-30(35)26-20(7)27(31(36)38-17(3)4)39-29(26)33-28(34)23-15-25(21-13-12-18(5)14-19(21)6)32-24-11-9-8-10-22(23)24/h8-17H,1-7H3,(H,33,34)
InChIKey UBRAZUXZJCZSDP-UHFFFAOYSA-N
Mol Weight 544.7 g/mol
Molecular Formula C31H32N2O5S
Exact Mass 544.203193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID qb11fs7ZYy
Name Diisopropyl 5-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 544.203193307 u
Formula C31H32N2O5S
InChI InChI=1S/C31H32N2O5S/c1-16(2)37-30(35)26-20(7)27(31(36)38-17(3)4)39-29(26)33-28(34)23-15-25(21-13-12-18(5)14-19(21)6)32-24-11-9-8-10-22(23)24/h8-17H,1-7H3,(H,33,34)
InChIKey UBRAZUXZJCZSDP-UHFFFAOYSA-N
Molecular Weight 544.666 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=C(C=C(C=C2)C)C)N=C2C1C=CC=C2)=O