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

Systemtic Name: 5-oxidanylidene-3-phenyl-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid Openeye Name: 7-(4-benzyloxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid CAS Name: 5-oxo-3-phenyl-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid IUPAC Name: 5-oxo-3-phenyl-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid Traditional Name: 7-(4-benzoxyphenyl)-5-keto-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid Formula: C27H21NO4S MolecularWeight: 455.52494

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C(=C(S2)C(=O)O)C3=CC=CC=C3)NC1=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C(C2=C(C(=C(S2)C(=O)O)C3=CC=CC=C3)NC1=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H21NO4S/c29-22-15-21(18-11-13-20(14-12-18)32-16-17-7-3-1-4-8-17)25-24(28-22)23(26(33-25)27(30)31)19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H,28,29)(H,30,31)