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

Systemtic Name: methyl 3-[[2-(4-bromophenyl)quinolin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[2-(4-bromophenyl)-4-quinolinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C22H15BrN2O3S MolecularWeight: 467.3351

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H15BrN2O3S/c1-28-22(27)20-18(10-11-29-20)25-21(26)16-12-19(13-6-8-14(23)9-7-13)24-17-5-3-2-4-15(16)17/h2-12H,1H3,(H,25,26)