2-chloranyl-3-[4-[(1-ethanoyl-4-oxidanyl-piperidin-4-yl)methoxy]phenyl]-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 2-chloranyl-3-[4-[(1-ethanoyl-4-oxidanyl-piperidin-4-yl)methoxy]phenyl]-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 3-[4-[(1-acetyl-4-hydroxy-4-piperidyl)methoxy]phenyl]-2-chloro-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 3-[4-[(1-acetyl-4-hydroxy-4-piperidinyl)methoxy]phenyl]-2-chloro-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile IUPAC Name: 3-[4-[(1-acetyl-4-hydroxypiperidin-4-yl)methoxy]phenyl]-2-chloro-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 3-[4-[(1-acetyl-4-hydroxy-4-piperidyl)methoxy]phenyl]-2-chloro-6-hydroxy-4-keto-7H-thieno[2,3-b]pyridine-5-carbonitrile Formula: C22H20ClN3O5S MolecularWeight: 473.9293

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)(COC2=CC=C(C=C2)C3=C(SC4=C3C(=O)C(=C(N4)O)C#N)Cl)O

Isomeric SMILES

CC(=O)N1CCC(CC1)(COC2=CC=C(C=C2)C3=C(SC4=C3C(=O)C(=C(N4)O)C#N)Cl)O

InChI

InChI=1S/C22H20ClN3O5S/c1-12(27)26-8-6-22(30,7-9-26)11-31-14-4-2-13(3-5-14)16-17-18(28)15(10-24)20(29)25-21(17)32-19(16)23/h2-5,30H,6-9,11H2,1H3,(H2,25,28,29)