ethyl 5-cyano-6-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(diethylamino)-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(diethylamino)-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC(=C(C=C1C#N)C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC(=C(C=C1C#N)C(=O)OCC)C

InChI

InChI=1S/C16H21N3O3S/c1-5-19(6-2)14(20)10-23-15-12(9-17)8-13(11(4)18-15)16(21)22-7-3/h8H,5-7,10H2,1-4H3