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

Systemtic Name: 2-[[5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide CAS Name: 2-[[5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NCC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NCC3=CC=CC=C3)O

InChI

InChI=1S/C22H21N3O4S/c1-29-19-9-15(7-8-18(19)26)16-10-20(27)25-22(17(16)11-23)30-13-21(28)24-12-14-5-3-2-4-6-14/h2-9,16,26H,10,12-13H2,1H3,(H,24,28)(H,25,27)