(7S)-7-(1,3-benzodioxol-5-yl)-5-oxidanylidene-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylate

Systemtic Name: (7S)-7-(1,3-benzodioxol-5-yl)-5-oxidanylidene-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylate Openeye Name: (7S)-7-(1,3-benzodioxol-5-yl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylate CAS Name: (7S)-7-(1,3-benzodioxol-5-yl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylate IUPAC Name: (7S)-7-(1,3-benzodioxol-5-yl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylate Traditional Name: (7S)-7-(1,3-benzodioxol-5-yl)-5-keto-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylate Formula: C21H14NO5S- MolecularWeight: 392.40456

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

C1[C@H](C2=C(C(=C(S2)C(=O)[O-])C3=CC=CC=C3)NC1=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H15NO5S/c23-16-9-13(12-6-7-14-15(8-12)27-10-26-14)19-18(22-16)17(20(28-19)21(24)25)11-4-2-1-3-5-11/h1-8,13H,9-10H2,(H,22,23)(H,24,25)/p-1/t13-/m0/s1