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

Systemtic Name: methyl 4-cyano-3-methyl-5-[[2-(3-methylphenyl)quinolin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)OC)C)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)OC)C)C#N

InChI

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