ethyl 1-[(2S)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-1-oxo-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC(=C(C(=N2)C)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)SC2=NC(=C(C(=N2)C)C)C

InChI

InChI=1S/C18H27N3O3S/c1-6-24-17(23)15-7-9-21(10-8-15)16(22)14(5)25-18-19-12(3)11(2)13(4)20-18/h14-15H,6-10H2,1-5H3/t14-/m0/s1