ethyl (3S)-1-[(2R)-2-acetamido-3-phenylsulfanyl-propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2R)-2-acetamido-3-phenylsulfanyl-propanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(2R)-2-acetamido-3-phenylsulfanyl-propanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2R)-2-acetamido-1-oxo-3-(phenylthio)propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2R)-2-acetamido-3-phenylsulfanylpropanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2R)-2-acetamido-3-(phenylthio)propanoyl]nipecotic acid ethyl ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(CSC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H](CSC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C19H26N2O4S/c1-3-25-19(24)15-8-7-11-21(12-15)18(23)17(20-14(2)22)13-26-16-9-5-4-6-10-16/h4-6,9-10,15,17H,3,7-8,11-13H2,1-2H3,(H,20,22)/t15-,17-/m0/s1