ethyl 5-cyano-2-methyl-1-(piperidin-1-ylmethyl)-6-sulfanylidene-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-1-(piperidin-1-ylmethyl)-6-sulfanylidene-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-1-(1-piperidylmethyl)-6-thioxo-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-1-(1-piperidinylmethyl)-6-sulfanylidene-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-1-(piperidin-1-ylmethyl)-6-sulfanylidenepyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-1-(piperidinomethyl)-6-thioxo-nicotinic acid ethyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)CN2CCCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)CN2CCCCC2)C

InChI

InChI=1S/C16H21N3O2S/c1-3-21-16(20)14-9-13(10-17)15(22)19(12(14)2)11-18-7-5-4-6-8-18/h9H,3-8,11H2,1-2H3