dimethyl (4S)-6-azanyl-5-cyano-1-(4-fluorophenyl)-4-thiophen-2-yl-4H-pyridine-2,3-dicarboxylate

Systemtic Name: dimethyl (4S)-6-azanyl-5-cyano-1-(4-fluorophenyl)-4-thiophen-2-yl-4H-pyridine-2,3-dicarboxylate Openeye Name: dimethyl (4S)-6-amino-5-cyano-1-(4-fluorophenyl)-4-(2-thienyl)-4H-pyridine-2,3-dicarboxylate CAS Name: (4S)-6-amino-5-cyano-1-(4-fluorophenyl)-4-thiophen-2-yl-4H-pyridine-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S)-6-amino-5-cyano-1-(4-fluorophenyl)-4-thiophen-2-yl-4H-pyridine-2,3-dicarboxylate Traditional Name: (4S)-6-amino-5-cyano-1-(4-fluorophenyl)-4-(2-thienyl)-4H-pyridine-2,3-dicarboxylic acid dimethyl ester Formula: C20H16FN3O4S MolecularWeight: 413.422143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=C(C1C2=CC=CS2)C#N)N)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(C(=C([C@@H]1C2=CC=CS2)C#N)N)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C20H16FN3O4S/c1-27-19(25)16-15(14-4-3-9-29-14)13(10-22)18(23)24(17(16)20(26)28-2)12-7-5-11(21)6-8-12/h3-9,15H,23H2,1-2H3/t15-/m1/s1