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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CN2C(=C(C(=C(C2=S)C#N)C)C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CN2C(=C(C(=C(C2=S)C#N)C)C)C

InChI

InChI=1S/C18H25N3O2S/c1-5-23-18(22)15-7-6-8-20(10-15)11-21-14(4)12(2)13(3)16(9-19)17(21)24/h15H,5-8,10-11H2,1-4H3/t15-/m0/s1