ethyl 5-[[2-(3-bromophenyl)quinolin-4-yl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[2-(3-bromophenyl)quinolin-4-yl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[2-(3-bromophenyl)-4-quinolinyl]-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C25H18BrN3O3S MolecularWeight: 520.39772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br)C#N)C

InChI

InChI=1S/C25H18BrN3O3S/c1-3-32-25(31)22-14(2)19(13-27)24(33-22)29-23(30)18-12-21(15-7-6-8-16(26)11-15)28-20-10-5-4-9-17(18)20/h4-12H,3H2,1-2H3,(H,29,30)