propan-2-yl 4-cyano-3-methyl-5-[(2-phenylquinolin-4-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: propan-2-yl 4-cyano-3-methyl-5-[(2-phenylquinolin-4-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-3-methyl-5-[(2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-3-methyl-5-[(2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylic acid isopropyl ester Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)OC(C)C

InChI

InChI=1S/C26H21N3O3S/c1-15(2)32-26(31)23-16(3)20(14-27)25(33-23)29-24(30)19-13-22(17-9-5-4-6-10-17)28-21-12-8-7-11-18(19)21/h4-13,15H,1-3H3,(H,29,30)