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

Systemtic Name: (7R)-7-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid Openeye Name: (7R)-7-(4-hydroxy-3-methoxy-phenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid CAS Name: (7R)-7-(4-hydroxy-3-methoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid IUPAC Name: (7R)-7-(4-hydroxy-3-methoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid Traditional Name: (7R)-7-(4-hydroxy-3-methoxy-phenyl)-5-keto-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CC(=O)NC3=C2SC(=C3C4=CC=CC=C4)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H]2CC(=O)NC3=C2SC(=C3C4=CC=CC=C4)C(=O)O)O

InChI

InChI=1S/C21H17NO5S/c1-27-15-9-12(7-8-14(15)23)13-10-16(24)22-18-17(11-5-3-2-4-6-11)20(21(25)26)28-19(13)18/h2-9,13,23H,10H2,1H3,(H,22,24)(H,25,26)/t13-/m1/s1