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

Systemtic Name: propyl 2-[[4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O5S/c1-3-4-26-16(23)9-27-18-12(8-20)11(7-15(22)21-18)10-5-13(19)17(24)14(6-10)25-2/h5-6,11,24H,3-4,7,9H2,1-2H3,(H,21,22)