ethyl 2-[[2-(4-ethylphenyl)quinolin-4-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(4-ethylphenyl)quinolin-4-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(4-ethylphenyl)-4-quinolinyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C31H26N2O3S MolecularWeight: 506.61474

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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(=CS4)C5=CC=CC=C5)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)OCC

InChI

InChI=1S/C31H26N2O3S/c1-3-20-14-16-22(17-15-20)27-18-24(23-12-8-9-13-26(23)32-27)29(34)33-30-28(31(35)36-4-2)25(19-37-30)21-10-6-5-7-11-21/h5-19H,3-4H2,1-2H3,(H,33,34)