methyl 2-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-4-(4-bromophenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-4-(4-bromophenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4-(4-bromophenyl)thiophene-3-carboxylate CAS Name: 2-[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]amino]-4-(4-bromophenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4-(4-bromophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4-(4-bromophenyl)thiophene-3-carboxylic acid methyl ester Formula: C29H19BrN2O5S MolecularWeight: 587.44056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H19BrN2O5S/c1-35-29(34)26-21(16-6-9-18(30)10-7-16)14-38-28(26)32-27(33)20-13-23(31-22-5-3-2-4-19(20)22)17-8-11-24-25(12-17)37-15-36-24/h2-14H,15H2,1H3,(H,32,33)