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

Systemtic Name: ethyl (3S)-1-[(3-cyano-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(3-cyano-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(3-cyano-4,6-dimethyl-2-sulfanylidene-1-pyridinyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3-cyano-4,6-dimethyl-2-sulfanylidenepyridin-1-yl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(3-cyano-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]nipecotic acid ethyl ester Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O2S/c1-4-22-17(21)14-6-5-7-19(10-14)11-20-13(3)8-12(2)15(9-18)16(20)23/h8,14H,4-7,10-11H2,1-3H3/t14-/m0/s1