methyl (4S)-6-azanyl-4-[2,4-bis(fluoranyl)phenyl]-5-cyano-2-ethyl-4H-pyran-3-carboxylate

Systemtic Name: methyl (4S)-6-azanyl-4-[2,4-bis(fluoranyl)phenyl]-5-cyano-2-ethyl-4H-pyran-3-carboxylate Openeye Name: methyl (4S)-6-amino-5-cyano-4-(2,4-difluorophenyl)-2-ethyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-4-(2,4-difluorophenyl)-2-ethyl-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-amino-5-cyano-4-(2,4-difluorophenyl)-2-ethyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-4-(2,4-difluorophenyl)-2-ethyl-4H-pyran-3-carboxylic acid methyl ester Formula: C16H14F2N2O3 MolecularWeight: 320.290766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(O1)N)C#N)C2=C(C=C(C=C2)F)F)C(=O)OC

Isomeric SMILES

CCC1=C([C@H](C(=C(O1)N)C#N)C2=C(C=C(C=C2)F)F)C(=O)OC

InChI

InChI=1S/C16H14F2N2O3/c1-3-12-14(16(21)22-2)13(10(7-19)15(20)23-12)9-5-4-8(17)6-11(9)18/h4-6,13H,3,20H2,1-2H3/t13-/m0/s1