ethyl (4S)-6-azanyl-5-cyano-4-(4-fluorophenyl)-2-(phenylsulfanylmethyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-6-azanyl-5-cyano-4-(4-fluorophenyl)-2-(phenylsulfanylmethyl)-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-5-cyano-4-(4-fluorophenyl)-2-(phenylsulfanylmethyl)-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-4-(4-fluorophenyl)-2-[(phenylthio)methyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-5-cyano-4-(4-fluorophenyl)-2-(phenylsulfanylmethyl)-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-4-(4-fluorophenyl)-2-[(phenylthio)methyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C22H19FN2O3S MolecularWeight: 410.461263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)F)C#N)N)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC=C(C=C2)F)C#N)N)CSC3=CC=CC=C3

InChI

InChI=1S/C22H19FN2O3S/c1-2-27-22(26)20-18(13-29-16-6-4-3-5-7-16)28-21(25)17(12-24)19(20)14-8-10-15(23)11-9-14/h3-11,19H,2,13,25H2,1H3/t19-/m0/s1