7-[4-(5-cyano-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridin-3-yl)phenyl]hept-6-ynoic acid

Systemtic Name: 7-[4-(5-cyano-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridin-3-yl)phenyl]hept-6-ynoic acid Openeye Name: 7-[4-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)phenyl]hept-6-ynoic acid CAS Name: 7-[4-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)phenyl]-6-heptynoic acid IUPAC Name: 7-[4-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)phenyl]hept-6-ynoic acid Traditional Name: 7-[4-(5-cyano-6-hydroxy-4-keto-7H-thieno[2,3-b]pyridin-3-yl)phenyl]hept-6-ynoic acid Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCCCCC(=O)O)C2=CSC3=C2C(=O)C(=C(N3)O)C#N

Isomeric SMILES

C1=CC(=CC=C1C#CCCCCC(=O)O)C2=CSC3=C2C(=O)C(=C(N3)O)C#N

InChI

InChI=1S/C21H16N2O4S/c22-11-15-19(26)18-16(12-28-21(18)23-20(15)27)14-9-7-13(8-10-14)5-3-1-2-4-6-17(24)25/h7-10,12H,1-2,4,6H2,(H,24,25)(H2,23,26,27)