2-chloranyl-3-[4-[(1-ethyl-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-ethyl-4-oxidanyl-piperidin-4-yl)methoxy]phenyl]-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 2-chloro-3-[4-[(1-ethyl-4-hydroxy-4-piperidyl)methoxy]phenyl]-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 2-chloro-3-[4-[(1-ethyl-4-hydroxy-4-piperidinyl)methoxy]phenyl]-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile IUPAC Name: 2-chloro-3-[4-[(1-ethyl-4-hydroxypiperidin-4-yl)methoxy]phenyl]-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 2-chloro-3-[4-[(1-ethyl-4-hydroxy-4-piperidyl)methoxy]phenyl]-6-hydroxy-4-keto-7H-thieno[2,3-b]pyridine-5-carbonitrile Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)(COC2=CC=C(C=C2)C3=C(SC4=C3C(=O)C(=C(N4)O)C#N)Cl)O

Isomeric SMILES

CCN1CCC(CC1)(COC2=CC=C(C=C2)C3=C(SC4=C3C(=O)C(=C(N4)O)C#N)Cl)O

InChI

InChI=1S/C22H22ClN3O4S/c1-2-26-9-7-22(29,8-10-26)12-30-14-5-3-13(4-6-14)16-17-18(27)15(11-24)20(28)25-21(17)31-19(16)23/h3-6,29H,2,7-10,12H2,1H3,(H2,25,27,28)