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

Systemtic Name: 6-[4-(5-cyano-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridin-3-yl)phenyl]hex-5-ynoic acid Openeye Name: 6-[4-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)phenyl]hex-5-ynoic acid CAS Name: 6-[4-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)phenyl]-5-hexynoic acid IUPAC Name: 6-[4-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)phenyl]hex-5-ynoic acid Traditional Name: 6-[4-(5-cyano-6-hydroxy-4-keto-7H-thieno[2,3-b]pyridin-3-yl)phenyl]hex-5-ynoic acid Formula: C20H14N2O4S MolecularWeight: 378.40116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N2O4S/c21-10-14-18(25)17-15(11-27-20(17)22-19(14)26)13-8-6-12(7-9-13)4-2-1-3-5-16(23)24/h6-9,11H,1,3,5H2,(H,23,24)(H2,22,25,26)