ethyl 1-[(2S)-2-quinolin-2-ylsulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-quinolin-2-ylsulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-(2-quinolylsulfanyl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-1-oxo-2-(2-quinolinylthio)propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-quinolin-2-ylsulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-(2-quinolylthio)propanoyl]isonipecotic acid ethyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H24N2O3S/c1-3-25-20(24)16-10-12-22(13-11-16)19(23)14(2)26-18-9-8-15-6-4-5-7-17(15)21-18/h4-9,14,16H,3,10-13H2,1-2H3/t14-/m0/s1