methyl (4S)-6-azanyl-4-(3-bromanyl-4-fluoranyl-phenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate

Systemtic Name: methyl (4S)-6-azanyl-4-(3-bromanyl-4-fluoranyl-phenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate Openeye Name: methyl (4S)-6-amino-4-(3-bromo-4-fluoro-phenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-(3-bromo-4-fluorophenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-amino-4-(3-bromo-4-fluorophenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-(3-bromo-4-fluoro-phenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylic acid methyl ester Formula: C16H14BrFN2O4 MolecularWeight: 397.195763

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)F)Br)C(=O)OC

Isomeric SMILES

COCC1=C([C@H](C(=C(O1)N)C#N)C2=CC(=C(C=C2)F)Br)C(=O)OC

InChI

InChI=1S/C16H14BrFN2O4/c1-22-7-12-14(16(21)23-2)13(9(6-19)15(20)24-12)8-3-4-11(18)10(17)5-8/h3-5,13H,7,20H2,1-2H3/t13-/m0/s1