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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC3=C2C(=O)C(=C(N3)O)C#N)C#CCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC3=C2C(=O)C(=C(N3)O)C#N)C#CCCCCC(=O)O

InChI

InChI=1S/C21H16N2O4S/c22-12-14-19(26)18-17(13-8-4-3-5-9-13)15(28-21(18)23-20(14)27)10-6-1-2-7-11-16(24)25/h3-5,8-9H,1-2,7,11H2,(H,24,25)(H2,23,26,27)