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

Systemtic Name: (7R)-7-(4-carboxylatophenyl)-5-oxidanylidene-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylate Openeye Name: (7R)-7-(4-carboxylatophenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylate CAS Name: (7R)-7-(4-carboxylatophenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylate IUPAC Name: (7R)-7-(4-carboxylatophenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylate Traditional Name: (7R)-7-(4-carboxylatophenyl)-5-keto-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylate Formula: C21H13NO5S-2 MolecularWeight: 391.39662

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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)C(=O)[O-]

Isomeric SMILES

C1[C@@H](C2=C(C(=C(S2)C(=O)[O-])C3=CC=CC=C3)NC1=O)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C21H15NO5S/c23-15-10-14(11-6-8-13(9-7-11)20(24)25)18-17(22-15)16(19(28-18)21(26)27)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,22,23)(H,24,25)(H,26,27)/p-2/t14-/m1/s1