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

Systemtic Name: 7-[4-(5-cyano-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridin-3-yl)phenyl]-N,N-diethyl-hept-6-ynamide Openeye Name: 7-[4-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)phenyl]-N,N-diethyl-hept-6-ynamide CAS Name: 7-[4-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)phenyl]-N,N-diethyl-6-heptynamide IUPAC Name: 7-[4-(5-cyano-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridin-3-yl)phenyl]-N,N-diethylhept-6-ynamide Traditional Name: 7-[4-(5-cyano-6-hydroxy-4-keto-7H-thieno[2,3-b]pyridin-3-yl)phenyl]-N,N-diethyl-hept-6-ynamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCCCC#CC1=CC=C(C=C1)C2=CSC3=C2C(=O)C(=C(N3)O)C#N

Isomeric SMILES

CCN(CC)C(=O)CCCCC#CC1=CC=C(C=C1)C2=CSC3=C2C(=O)C(=C(N3)O)C#N

InChI

InChI=1S/C25H25N3O3S/c1-3-28(4-2)21(29)10-8-6-5-7-9-17-11-13-18(14-12-17)20-16-32-25-22(20)23(30)19(15-26)24(31)27-25/h11-14,16H,3-6,8,10H2,1-2H3,(H2,27,30,31)