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

Systemtic Name: methyl (4S)-6-azanyl-4-(2-chloranyl-6-fluoranyl-phenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate Openeye Name: methyl (4S)-6-amino-4-(2-chloro-6-fluoro-phenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-(2-chloro-6-fluoro-phenyl)-5-cyano-2-(methoxymethyl)-4H-pyran-3-carboxylic acid methyl ester Formula: C16H14ClFN2O4 MolecularWeight: 352.744763

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(C(=C(O1)N)C#N)C2=C(C=CC=C2Cl)F)C(=O)OC

Isomeric SMILES

COCC1=C([C@H](C(=C(O1)N)C#N)C2=C(C=CC=C2Cl)F)C(=O)OC

InChI

InChI=1S/C16H14ClFN2O4/c1-22-7-11-14(16(21)23-2)12(8(6-19)15(20)24-11)13-9(17)4-3-5-10(13)18/h3-5,12H,7,20H2,1-2H3/t12-/m1/s1