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

Systemtic Name: methyl 2-[[6-bromanyl-2-(4-butylphenyl)quinolin-4-yl]carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(4-butylphenyl)-4-quinolinyl]-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl 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)CC)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=C(S4)CC)C(=O)OC

InChI

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