(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C19H17N3O3S MolecularWeight: 367.42158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OC(C3=CC=CC=C3)C(=O)N)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OC(C3=CC=CC=C3)C(=O)N)C#N

InChI

InChI=1S/C19H17N3O3S/c1-26-18-14(10-20)13(9-15(22-18)11-7-8-11)19(24)25-16(17(21)23)12-5-3-2-4-6-12/h2-6,9,11,16H,7-8H2,1H3,(H2,21,23)