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

Systemtic Name: ethyl 2-[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]-4-(4-bromophenyl)thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C30H21BrN2O5S MolecularWeight: 601.46714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C30H21BrN2O5S/c1-2-36-30(35)27-22(17-7-10-19(31)11-8-17)15-39-29(27)33-28(34)21-14-24(32-23-6-4-3-5-20(21)23)18-9-12-25-26(13-18)38-16-37-25/h3-15H,2,16H2,1H3,(H,33,34)