ethyl 2-[[4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid ethyl ester Formula: C17H17BrN2O5S MolecularWeight: 441.29628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C#N

InChI

InChI=1S/C17H17BrN2O5S/c1-3-25-15(22)8-26-17-11(7-19)10(6-14(21)20-17)9-4-12(18)16(23)13(5-9)24-2/h4-5,10,23H,3,6,8H2,1-2H3,(H,20,21)