ethyl 2-[(8-fluoranylquinolin-4-yl)amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(8-fluoranylquinolin-4-yl)amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(8-fluoro-4-quinolyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(8-fluoro-4-quinolinyl)amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(8-fluoroquinolin-4-yl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(8-fluoro-4-quinolyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H17FN2O2S MolecularWeight: 392.445983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC3=C4C=CC=C(C4=NC=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC3=C4C=CC=C(C4=NC=C3)F

InChI

InChI=1S/C22H17FN2O2S/c1-2-27-22(26)19-16(14-7-4-3-5-8-14)13-28-21(19)25-18-11-12-24-20-15(18)9-6-10-17(20)23/h3-13H,2H2,1H3,(H,24,25)