ethyl 2-[[2-(3-bromophenyl)quinolin-4-yl]carbonylamino]-4-(4-chlorophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(3-bromophenyl)quinolin-4-yl]carbonylamino]-4-(4-chlorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylate CAS Name: 2-[[[2-(3-bromophenyl)-4-quinolinyl]-oxomethyl]amino]-4-(4-chlorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C29H20BrClN2O3S MolecularWeight: 591.9027

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C29H20BrClN2O3S/c1-2-36-29(35)26-23(17-10-12-20(31)13-11-17)16-37-28(26)33-27(34)22-15-25(18-6-5-7-19(30)14-18)32-24-9-4-3-8-21(22)24/h3-16H,2H2,1H3,(H,33,34)