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

Systemtic Name: methyl 4-cyano-3-methyl-5-[(3-methyl-2-phenyl-quinolin-4-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-methyl-5-[(3-methyl-2-phenyl-quinoline-4-carbonyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[(3-methyl-2-phenyl-4-quinolinyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(3-methyl-2-phenyl-quinoline-4-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O3S/c1-14-18(13-26)24(32-22(14)25(30)31-3)28-23(29)20-15(2)21(16-9-5-4-6-10-16)27-19-12-8-7-11-17(19)20/h4-12H,1-3H3,(H,28,29)