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

Systemtic Name: ethyl 4-cyano-5-[[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H23N3O3S MolecularWeight: 469.55482

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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(=C(C=C4)C)C)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O3S/c1-5-33-27(32)24-17(4)21(14-28)26(34-24)30-25(31)20-13-23(18-11-10-15(2)16(3)12-18)29-22-9-7-6-8-19(20)22/h6-13H,5H2,1-4H3,(H,30,31)