methyl 2-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbonylamino]-4-pyridin-3-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbonylamino]-4-pyridin-3-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[(6-bromo-2-phenyl-quinoline-4-carbonyl)amino]-4-(3-pyridyl)thiophene-3-carboxylate CAS Name: 2-[[(6-bromo-2-phenyl-4-quinolinyl)-oxomethyl]amino]-4-(3-pyridinyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(6-bromo-2-phenylquinoline-4-carbonyl)amino]-4-pyridin-3-ylthiophene-3-carboxylate Traditional Name: 2-[(6-bromo-2-phenyl-quinoline-4-carbonyl)amino]-4-(3-pyridyl)thiophene-3-carboxylic acid methyl ester Formula: C27H18BrN3O3S MolecularWeight: 544.41912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CN=CC=C2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CN=CC=C2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C27H18BrN3O3S/c1-34-27(33)24-21(17-8-5-11-29-14-17)15-35-26(24)31-25(32)20-13-23(16-6-3-2-4-7-16)30-22-10-9-18(28)12-19(20)22/h2-15H,1H3,(H,31,32)