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

Systemtic Name: N-(4-bromophenyl)-2-[[5-cyano-4-(3-ethoxy-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[5-cyano-4-(3-ethoxy-4-hydroxy-phenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[5-cyano-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[5-cyano-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[5-cyano-4-(3-ethoxy-4-hydroxy-phenyl)-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide Formula: C22H20BrN3O4S MolecularWeight: 502.3809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrN3O4S/c1-2-30-19-9-13(3-8-18(19)27)16-10-20(28)26-22(17(16)11-24)31-12-21(29)25-15-6-4-14(23)5-7-15/h3-9,16,27H,2,10,12H2,1H3,(H,25,29)(H,26,28)