methyl 2-[[6-bromanyl-2-(4-butylphenyl)quinolin-4-yl]carbonylamino]-4-pyridin-3-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[6-bromanyl-2-(4-butylphenyl)quinolin-4-yl]carbonylamino]-4-pyridin-3-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-4-(3-pyridyl)thiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(4-butylphenyl)-4-quinolinyl]-oxomethyl]amino]-4-(3-pyridinyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-4-pyridin-3-ylthiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-4-(3-pyridyl)thiophene-3-carboxylic acid methyl ester Formula: C31H26BrN3O3S MolecularWeight: 600.52544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C(=CS4)C5=CN=CC=C5)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C(=CS4)C5=CN=CC=C5)C(=O)OC

InChI

InChI=1S/C31H26BrN3O3S/c1-3-4-6-19-8-10-20(11-9-19)27-16-24(23-15-22(32)12-13-26(23)34-27)29(36)35-30-28(31(37)38-2)25(18-39-30)21-7-5-14-33-17-21/h5,7-18H,3-4,6H2,1-2H3,(H,35,36)