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

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

CCC1=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

CCC1=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/C29H22BrN3O3S/c1-3-17-6-8-18(9-7-17)25-14-22(21-13-20(30)10-11-24(21)32-25)27(34)33-28-26(29(35)36-2)23(16-37-28)19-5-4-12-31-15-19/h4-16H,3H2,1-2H3,(H,33,34)