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Methyl 4-(4-bromophenyl)-2-({[2-(2-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-3-thiophenecarboxylate

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Methyl 4-(4-bromophenyl)-2-({[2-(2-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-3-thiophenecarboxylate
SpectraBase Compound ID GqqFVUcyAZm
InChI InChI=1S/C29H21BrN2O4S/c1-35-25-10-6-4-8-20(25)24-15-21(19-7-3-5-9-23(19)31-24)27(33)32-28-26(29(34)36-2)22(16-37-28)17-11-13-18(30)14-12-17/h3-16H,1-2H3,(H,32,33)
InChIKey AMBBIYCVJSPYSU-UHFFFAOYSA-N
Mol Weight 573.46 g/mol
Molecular Formula C29H21BrN2O4S
Exact Mass 572.040541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HmyAwVezS6D
Name Methyl 4-(4-bromophenyl)-2-({[2-(2-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 572.040541334 u
Formula C29H21BrN2O4S
InChI InChI=1S/C29H21BrN2O4S/c1-35-25-10-6-4-8-20(25)24-15-21(19-7-3-5-9-23(19)31-24)27(33)32-28-26(29(34)36-2)22(16-37-28)17-11-13-18(30)14-12-17/h3-16H,1-2H3,(H,32,33)
InChIKey AMBBIYCVJSPYSU-UHFFFAOYSA-N
Molecular Weight 573.461 g/mol
SMILES N(C1=C(C(=CS1)C=1C=CC(=CC1)Br)C(=O)OC)C(C1=CC(=NC2=CC=CC=C12)C1=C(OC)C=CC=C1)=O