ethyl 6-azanyl-2-[(4-bromanyl-3-cyano-6-methyl-pyridin-2-yl)sulfanylmethyl]-5-cyano-4-(2-fluoranyl-4-methyl-phenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-2-[(4-bromanyl-3-cyano-6-methyl-pyridin-2-yl)sulfanylmethyl]-5-cyano-4-(2-fluoranyl-4-methyl-phenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-2-[(4-bromo-3-cyano-6-methyl-2-pyridyl)sulfanylmethyl]-5-cyano-4-(2-fluoro-4-methyl-phenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-2-[[(4-bromo-3-cyano-6-methyl-2-pyridinyl)thio]methyl]-5-cyano-4-(2-fluoro-4-methylphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-2-[(4-bromo-3-cyano-6-methylpyridin-2-yl)sulfanylmethyl]-5-cyano-4-(2-fluoro-4-methylphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-2-[[(4-bromo-3-cyano-6-methyl-2-pyridyl)thio]methyl]-5-cyano-4-(2-fluoro-4-methyl-phenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C24H20BrFN4O3S MolecularWeight: 543.408003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=C(C=C(C=C2)C)F)C#N)N)CSC3=C(C(=CC(=N3)C)Br)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=C(C=C(C=C2)C)F)C#N)N)CSC3=C(C(=CC(=N3)C)Br)C#N

InChI

InChI=1S/C24H20BrFN4O3S/c1-4-32-24(31)21-19(11-34-23-15(9-27)17(25)8-13(3)30-23)33-22(29)16(10-28)20(21)14-6-5-12(2)7-18(14)26/h5-8,20H,4,11,29H2,1-3H3