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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[[2-(3-methylphenyl)quinolin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-(m-tolyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[2-(3-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(m-tolyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C26H21N3O3S MolecularWeight: 455.52824

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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)C)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O3S/c1-4-32-26(31)23-16(3)20(14-27)25(33-23)29-24(30)19-13-22(17-9-7-8-15(2)12-17)28-21-11-6-5-10-18(19)21/h5-13H,4H2,1-3H3,(H,29,30)