2-[[5-cyano-4-(3-ethoxy-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[[5-cyano-4-(3-ethoxy-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[[5-cyano-4-(3-ethoxy-4-hydroxy-phenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[[5-cyano-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[[5-cyano-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[[5-cyano-4-(3-ethoxy-4-hydroxy-phenyl)-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(3-fluorophenyl)acetamide Formula: C22H20FN3O4S MolecularWeight: 441.475303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC(=CC=C3)F)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC(=CC=C3)F)O

InChI

InChI=1S/C22H20FN3O4S/c1-2-30-19-8-13(6-7-18(19)27)16-10-20(28)26-22(17(16)11-24)31-12-21(29)25-15-5-3-4-14(23)9-15/h3-9,16,27H,2,10,12H2,1H3,(H,25,29)(H,26,28)