methyl (4S)-6-azanyl-5-cyano-2-(methoxymethyl)-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate

Systemtic Name: methyl (4S)-6-azanyl-5-cyano-2-(methoxymethyl)-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate Openeye Name: methyl (4S)-6-amino-5-cyano-2-(methoxymethyl)-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-2-(methoxymethyl)-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-amino-5-cyano-2-(methoxymethyl)-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-2-(methoxymethyl)-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylic acid methyl ester Formula: C17H15F3N2O4 MolecularWeight: 368.30721

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2C(F)(F)F)C(=O)OC

Isomeric SMILES

COCC1=C([C@H](C(=C(O1)N)C#N)C2=CC=CC=C2C(F)(F)F)C(=O)OC

InChI

InChI=1S/C17H15F3N2O4/c1-24-8-12-14(16(23)25-2)13(10(7-21)15(22)26-12)9-5-3-4-6-11(9)17(18,19)20/h3-6,13H,8,22H2,1-2H3/t13-/m0/s1