7-(5-bromanyl-2-fluoranyl-phenyl)-5-oxidanylidene-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid

Systemtic Name: 7-(5-bromanyl-2-fluoranyl-phenyl)-5-oxidanylidene-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid Openeye Name: 7-(5-bromo-2-fluoro-phenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid CAS Name: 7-(5-bromo-2-fluorophenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid IUPAC Name: 7-(5-bromo-2-fluorophenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid Traditional Name: 7-(5-bromo-2-fluoro-phenyl)-5-keto-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid Formula: C20H13BrFNO3S MolecularWeight: 446.289523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C(=C(S2)C(=O)O)C3=CC=CC=C3)NC1=O)C4=C(C=CC(=C4)Br)F

Isomeric SMILES

C1C(C2=C(C(=C(S2)C(=O)O)C3=CC=CC=C3)NC1=O)C4=C(C=CC(=C4)Br)F

InChI

InChI=1S/C20H13BrFNO3S/c21-11-6-7-14(22)12(8-11)13-9-15(24)23-17-16(10-4-2-1-3-5-10)19(20(25)26)27-18(13)17/h1-8,13H,9H2,(H,23,24)(H,25,26)