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

Systemtic Name: methyl 4-cyano-5-[[2-(4-ethoxyphenyl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[2-(4-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(2-p-phenetylquinoline-4-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)OC)C)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)OC)C)C#N

InChI

InChI=1S/C26H21N3O4S/c1-4-33-17-11-9-16(10-12-17)22-13-19(18-7-5-6-8-21(18)28-22)24(30)29-25-20(14-27)15(2)23(34-25)26(31)32-3/h5-13H,4H2,1-3H3,(H,29,30)