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

Systemtic Name: methyl 2-[[6-bromanyl-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylamino]-4-pyridin-3-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-(3-pyridyl)thiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(3,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]amino]-4-(3-pyridinyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-pyridin-3-ylthiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-(3-pyridyl)thiophene-3-carboxylic acid methyl ester Formula: C29H22BrN3O3S MolecularWeight: 572.47228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=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)C

Isomeric SMILES

CC1=C(C=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)C

InChI

InChI=1S/C29H22BrN3O3S/c1-16-6-7-18(11-17(16)2)25-13-22(21-12-20(30)8-9-24(21)32-25)27(34)33-28-26(29(35)36-3)23(15-37-28)19-5-4-10-31-14-19/h4-15H,1-3H3,(H,33,34)