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

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

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)OCC)C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)OCC)C)C#N

InChI

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