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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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