ethyl 1-[(5-cyano-2,3,4-trimethyl-6-sulfanylidene-pyridin-1-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(5-cyano-2,3,4-trimethyl-6-sulfanylidene-pyridin-1-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5-cyano-2,3,4-trimethyl-6-thioxo-1-pyridyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(5-cyano-2,3,4-trimethyl-6-sulfanylidene-1-pyridinyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-cyano-2,3,4-trimethyl-6-sulfanylidenepyridin-1-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(5-cyano-2,3,4-trimethyl-6-thioxo-1-pyridyl)methyl]isonipecotic acid ethyl ester Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C(=C(C(=C(C2=S)C#N)C)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C(=C(C(=C(C2=S)C#N)C)C)C

InChI

InChI=1S/C18H25N3O2S/c1-5-23-18(22)15-6-8-20(9-7-15)11-21-14(4)12(2)13(3)16(10-19)17(21)24/h15H,5-9,11H2,1-4H3