5-[(4-fluorophenyl)methyl]-7-methyl-4-oxidanylidene-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 5-[(4-fluorophenyl)methyl]-7-methyl-4-oxidanylidene-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 5-[(4-fluorophenyl)methyl]-7-methyl-4-oxo-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 5-[(4-fluorophenyl)methyl]-7-methyl-4-oxo-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 5-[(4-fluorophenyl)methyl]-7-methyl-4-oxothieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 5-(4-fluorobenzyl)-4-keto-7-methyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C16H12FNO3S MolecularWeight: 317.334783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1SC(=C2)C(=O)O)CC3=CC=C(C=C3)F

Isomeric SMILES

CN1C=C(C(=O)C2=C1SC(=C2)C(=O)O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C16H12FNO3S/c1-18-8-10(6-9-2-4-11(17)5-3-9)14(19)12-7-13(16(20)21)22-15(12)18/h2-5,7-8H,6H2,1H3,(H,20,21)