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

Systemtic Name: 7-(4-methylsulfanylphenyl)-5-oxidanylidene-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid Openeye Name: 7-(4-methylsulfanylphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid CAS Name: 7-[4-(methylthio)phenyl]-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid IUPAC Name: 7-(4-methylsulfanylphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid Traditional Name: 5-keto-7-[4-(methylthio)phenyl]-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid Formula: C21H17NO3S2 MolecularWeight: 395.49458

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2CC(=O)NC3=C2SC(=C3C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2CC(=O)NC3=C2SC(=C3C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H17NO3S2/c1-26-14-9-7-12(8-10-14)15-11-16(23)22-18-17(13-5-3-2-4-6-13)20(21(24)25)27-19(15)18/h2-10,15H,11H2,1H3,(H,22,23)(H,24,25)