ethyl 2-[[6-bromanyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[6-bromanyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[6-bromo-2-(4-isopropylphenyl)quinoline-4-carbonyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(4-propan-2-ylphenyl)-4-quinolinyl]-oxomethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-bromo-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(6-bromo-2-p-cumenyl-quinoline-4-carbonyl)amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C33H29BrN2O3S MolecularWeight: 613.56396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H29BrN2O3S/c1-5-39-33(38)30-27(22-8-6-20(4)7-9-22)18-40-32(30)36-31(37)26-17-29(23-12-10-21(11-13-23)19(2)3)35-28-15-14-24(34)16-25(26)28/h6-19H,5H2,1-4H3,(H,36,37)