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

Systemtic Name: 7-[3-(5-cyano-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridin-3-yl)phenyl]hept-6-ynoic acid Openeye Name: 7-[3-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)phenyl]hept-6-ynoic acid CAS Name: 7-[3-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)phenyl]-6-heptynoic acid IUPAC Name: 7-[3-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)phenyl]hept-6-ynoic acid Traditional Name: 7-[3-(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(=C1)C2=CSC3=C2C(=O)C(=C(N3)O)C#N)C#CCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O4S/c22-11-15-19(26)18-16(12-28-21(18)23-20(15)27)14-8-5-7-13(10-14)6-3-1-2-4-9-17(24)25/h5,7-8,10,12H,1-2,4,9H2,(H,24,25)(H2,23,26,27)