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

Systemtic Name: ethyl 2-[[6-bromanyl-2-(4-methylphenyl)quinolin-4-yl]carbonylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[6-bromo-2-(p-tolyl)quinoline-4-carbonyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-bromo-2-(4-methylphenyl)quinoline-4-carbonyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(p-tolyl)quinoline-4-carbonyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C31H25BrN2O3S MolecularWeight: 585.5108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H25BrN2O3S/c1-4-37-31(36)28-27(21-8-6-5-7-9-21)19(3)38-30(28)34-29(35)24-17-26(20-12-10-18(2)11-13-20)33-25-15-14-22(32)16-23(24)25/h5-17H,4H2,1-3H3,(H,34,35)