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

Systemtic Name: ethyl 2-[[6-bromanyl-2-(4-methoxyphenyl)quinolin-4-yl]carbonylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[6-bromo-2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(4-methoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-bromo-2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C31H25BrN2O5S MolecularWeight: 617.5096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H25BrN2O5S/c1-4-39-31(36)28-25(18-5-10-21(37-2)11-6-18)17-40-30(28)34-29(35)24-16-27(19-7-12-22(38-3)13-8-19)33-26-14-9-20(32)15-23(24)26/h5-17H,4H2,1-3H3,(H,34,35)