N-(4-tert-butylphenyl)-2-[(3-cyano-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[(3-cyano-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide CAS Name: N-(4-tert-butylphenyl)-2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide Traditional Name: N-(4-tert-butylphenyl)-2-[(3-cyano-5-hydroxy-7-keto-4H-thieno[3,2-b]pyridin-2-yl)thio]acetamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N

InChI

InChI=1S/C20H19N3O3S2/c1-20(2,3)11-4-6-12(7-5-11)22-16(26)10-27-19-13(9-21)17-18(28-19)14(24)8-15(25)23-17/h4-8H,10H2,1-3H3,(H,22,26)(H2,23,24,25)