ethyl 5-cyano-2-methyl-1-[(4-methylpiperidin-1-yl)methyl]-6-sulfanylidene-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-1-[(4-methylpiperidin-1-yl)methyl]-6-sulfanylidene-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-1-[(4-methyl-1-piperidyl)methyl]-6-thioxo-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-1-[(4-methyl-1-piperidinyl)methyl]-6-sulfanylidene-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-1-[(4-methylpiperidin-1-yl)methyl]-6-sulfanylidenepyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-1-[(4-methylpiperidino)methyl]-6-thioxo-nicotinic acid ethyl ester Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)CN2CCC(CC2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)CN2CCC(CC2)C)C

InChI

InChI=1S/C17H23N3O2S/c1-4-22-17(21)15-9-14(10-18)16(23)20(13(15)3)11-19-7-5-12(2)6-8-19/h9,12H,4-8,11H2,1-3H3