methyl 2-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(6-bromo-2-phenyl-quinoline-4-carbonyl)amino]thiophene-3-carboxylate CAS Name: 2-[[(6-bromo-2-phenyl-4-quinolinyl)-oxomethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(6-bromo-2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(6-bromo-2-phenyl-quinoline-4-carbonyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C29H21BrN2O3S MolecularWeight: 557.45764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C29H21BrN2O3S/c1-35-29(34)24-16-21(14-18-8-4-2-5-9-18)36-28(24)32-27(33)23-17-26(19-10-6-3-7-11-19)31-25-13-12-20(30)15-22(23)25/h2-13,15-17H,14H2,1H3,(H,32,33)