ethyl 4-(4-chlorophenyl)-2-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[oxo-(2-pyridin-4-yl-4-quinolinyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C28H20ClN3O3S MolecularWeight: 513.9947

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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=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H20ClN3O3S/c1-2-35-28(34)25-22(17-7-9-19(29)10-8-17)16-36-27(25)32-26(33)21-15-24(18-11-13-30-14-12-18)31-23-6-4-3-5-20(21)23/h3-16H,2H2,1H3,(H,32,33)