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

Systemtic Name: methyl 4-cyano-5-[[2-(3-methoxyphenyl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[2-(3-methoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C25H19N3O4S MolecularWeight: 457.50106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O4S/c1-14-19(13-26)24(33-22(14)25(30)32-3)28-23(29)18-12-21(15-7-6-8-16(11-15)31-2)27-20-10-5-4-9-17(18)20/h4-12H,1-3H3,(H,28,29)