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

Systemtic Name: ethyl 1-[(2S)-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)SC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C19H25N3O3S/c1-5-25-19(24)15-6-8-22(9-7-15)18(23)14(4)26-17-16(11-20)12(2)10-13(3)21-17/h10,14-15H,5-9H2,1-4H3/t14-/m0/s1