(4-bromanyl-2-fluoranyl-phenyl)methyl 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)thio]acetic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-6-keto-4-methyl-1H-pyridin-2-yl)thio]acetic acid (4-bromo-2-fluoro-benzyl) ester Formula: C16H12BrFN2O3S MolecularWeight: 411.245483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C16H12BrFN2O3S/c1-9-4-14(21)20-16(12(9)6-19)24-8-15(22)23-7-10-2-3-11(17)5-13(10)18/h2-5H,7-8H2,1H3,(H,20,21)