ethyl 2-azanyl-5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 2-amino-5-cyano-6-(2-ethoxy-2-oxo-ethyl)sulfanyl-pyridine-3-carboxylate CAS Name: 2-amino-5-cyano-6-[(2-ethoxy-2-oxoethyl)thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-amino-5-cyano-6-[(2-ethoxy-2-keto-ethyl)thio]nicotinic acid ethyl ester Formula: C13H15N3O4S MolecularWeight: 309.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C=C1C#N)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)CSC1=NC(=C(C=C1C#N)C(=O)OCC)N

InChI

InChI=1S/C13H15N3O4S/c1-3-19-10(17)7-21-12-8(6-14)5-9(11(15)16-12)13(18)20-4-2/h5H,3-4,7H2,1-2H3,(H2,15,16)