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

Systemtic Name: ethyl 2-[[2-(4-ethoxyphenyl)quinolin-4-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(4-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 4-phenyl-2-[(2-p-phenetylquinoline-4-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C31H26N2O4S MolecularWeight: 522.61414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C31H26N2O4S/c1-3-36-22-16-14-21(15-17-22)27-18-24(23-12-8-9-13-26(23)32-27)29(34)33-30-28(31(35)37-4-2)25(19-38-30)20-10-6-5-7-11-20/h5-19H,3-4H2,1-2H3,(H,33,34)