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

Systemtic Name: ethyl 2-[[6-bromanyl-2-(3-methylphenyl)quinolin-4-yl]carbonylamino]-5-propyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[6-bromo-2-(m-tolyl)quinoline-4-carbonyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(3-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-5-propyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-bromo-2-(3-methylphenyl)quinoline-4-carbonyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(m-tolyl)quinoline-4-carbonyl]amino]-5-propyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H25BrN2O3S MolecularWeight: 537.468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)C)C(=O)OCC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)C)C(=O)OCC

InChI

InChI=1S/C27H25BrN2O3S/c1-4-7-19-14-22(27(32)33-5-2)26(34-19)30-25(31)21-15-24(17-9-6-8-16(3)12-17)29-23-11-10-18(28)13-20(21)23/h6,8-15H,4-5,7H2,1-3H3,(H,30,31)