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

Systemtic Name: methyl 2-[[4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H15BrN2O5S MolecularWeight: 427.2697

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OC)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OC)Br)O

InChI

InChI=1S/C16H15BrN2O5S/c1-23-12-4-8(3-11(17)15(12)22)9-5-13(20)19-16(10(9)6-18)25-7-14(21)24-2/h3-4,9,22H,5,7H2,1-2H3,(H,19,20)