2-[4-[(4-oxidanylidene-5H-thieno[2,3-b]pyridin-5-yl)carbonyloxymethyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(4-oxidanylidene-5H-thieno[2,3-b]pyridin-5-yl)carbonyloxymethyl]phenyl]benzoic acid Openeye Name: 2-[4-[(4-oxo-5H-thieno[2,3-b]pyridine-5-carbonyl)oxymethyl]phenyl]benzoic acid CAS Name: 2-[4-[[oxo-(4-oxo-5H-thieno[2,3-b]pyridin-5-yl)methoxy]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(4-oxo-5H-thieno[2,3-b]pyridine-5-carbonyl)oxymethyl]phenyl]benzoic acid Traditional Name: 2-[4-[(4-keto-5H-thieno[2,3-b]pyridine-5-carbonyl)oxymethyl]phenyl]benzoic acid Formula: C22H15NO5S MolecularWeight: 405.4232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)COC(=O)C3C=NC4=C(C3=O)C=CS4)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)COC(=O)C3C=NC4=C(C3=O)C=CS4)C(=O)O

InChI

InChI=1S/C22H15NO5S/c24-19-17-9-10-29-20(17)23-11-18(19)22(27)28-12-13-5-7-14(8-6-13)15-3-1-2-4-16(15)21(25)26/h1-11,18H,12H2,(H,25,26)