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

Systemtic Name: ethyl 2-[[6-bromanyl-2-(4-butylphenyl)quinolin-4-yl]carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(4-butylphenyl)-4-quinolinyl]-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H27BrN2O3S MolecularWeight: 551.49458

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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=C(S4)C)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C=C(S4)C)C(=O)OCC

InChI

InChI=1S/C28H27BrN2O3S/c1-4-6-7-18-8-10-19(11-9-18)25-16-22(21-15-20(29)12-13-24(21)30-25)26(32)31-27-23(14-17(3)35-27)28(33)34-5-2/h8-16H,4-7H2,1-3H3,(H,31,32)