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

Systemtic Name: ethyl 2-[[6-bromanyl-2-(4-butylphenyl)quinolin-4-yl]carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C29H29BrN2O3S MolecularWeight: 565.52116

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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)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)CC)C(=O)OCC

InChI

InChI=1S/C29H29BrN2O3S/c1-4-7-8-18-9-11-19(12-10-18)26-17-23(22-15-20(30)13-14-25(22)31-26)27(33)32-28-24(29(34)35-6-3)16-21(5-2)36-28/h9-17H,4-8H2,1-3H3,(H,32,33)