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Ethyl 2-({[2-(2-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate

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Ethyl 2-({[2-(2-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate
SpectraBase Compound ID KGl1XgeCi5b
InChI InChI=1S/C32H28N2O4S/c1-4-37-28-13-9-7-11-23(28)27-18-24(22-10-6-8-12-26(22)33-27)30(35)34-31-29(32(36)38-5-2)25(19-39-31)21-16-14-20(3)15-17-21/h6-19H,4-5H2,1-3H3,(H,34,35)
InChIKey ZXKGTUGNCKUNON-UHFFFAOYSA-N
Mol Weight 536.6 g/mol
Molecular Formula C32H28N2O4S
Exact Mass 536.176979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4zZXGRAZrWL
Name Ethyl 2-({[2-(2-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 536.176978560 u
Formula C32H28N2O4S
InChI InChI=1S/C32H28N2O4S/c1-4-37-28-13-9-7-11-23(28)27-18-24(22-10-6-8-12-26(22)33-27)30(35)34-31-29(32(36)38-5-2)25(19-39-31)21-16-14-20(3)15-17-21/h6-19H,4-5H2,1-3H3,(H,34,35)
InChIKey ZXKGTUGNCKUNON-UHFFFAOYSA-N
Molecular Weight 536.646 g/mol
SMILES N(C1=C(C(=CS1)C1=CC=C(C=C1)C)C(=O)OCC)C(C1=CC(=NC2=CC=CC=C12)C1=C(OCC)C=CC=C1)=O