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

Systemtic Name: dimethyl (4S)-6-azanyl-5-cyano-1-phenyl-4-thiophen-2-yl-4H-pyridine-2,3-dicarboxylate Openeye Name: dimethyl (4S)-6-amino-5-cyano-1-phenyl-4-(2-thienyl)-4H-pyridine-2,3-dicarboxylate CAS Name: (4S)-6-amino-5-cyano-1-phenyl-4-thiophen-2-yl-4H-pyridine-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S)-6-amino-5-cyano-1-phenyl-4-thiophen-2-yl-4H-pyridine-2,3-dicarboxylate Traditional Name: (4S)-6-amino-5-cyano-1-phenyl-4-(2-thienyl)-4H-pyridine-2,3-dicarboxylic acid dimethyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S/c1-26-19(24)16-15(14-9-6-10-28-14)13(11-21)18(22)23(17(16)20(25)27-2)12-7-4-3-5-8-12/h3-10,15H,22H2,1-2H3/t15-/m1/s1