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

Systemtic Name: (7R)-7-(3-bromanyl-4-methoxy-phenyl)-5-oxidanylidene-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylate Openeye Name: (7R)-7-(3-bromo-4-methoxy-phenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylate CAS Name: (7R)-7-(3-bromo-4-methoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylate IUPAC Name: (7R)-7-(3-bromo-4-methoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylate Traditional Name: (7R)-7-(3-bromo-4-methoxy-phenyl)-5-keto-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylate Formula: C21H15BrNO4S- MolecularWeight: 457.3171

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=O)NC3=C2SC(=C3C4=CC=CC=C4)C(=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrNO4S/c1-27-15-8-7-12(9-14(15)22)13-10-16(24)23-18-17(11-5-3-2-4-6-11)20(21(25)26)28-19(13)18/h2-9,13H,10H2,1H3,(H,23,24)(H,25,26)/p-1/t13-/m1/s1