ethyl (3S)-1-(3-methylsulfanylpropanoyl)-3-(3-phenylpropyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(3-methylsulfanylpropanoyl)-3-(3-phenylpropyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(3-methylsulfanylpropanoyl)-3-(3-phenylpropyl)piperidine-3-carboxylate CAS Name: (3S)-1-[3-(methylthio)-1-oxopropyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(3-methylsulfanylpropanoyl)-3-(3-phenylpropyl)piperidine-3-carboxylate Traditional Name: (3S)-1-[3-(methylthio)propanoyl]-3-(3-phenylpropyl)nipecotic acid ethyl ester Formula: C21H31NO3S MolecularWeight: 377.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCSC)CCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)CCSC)CCCC2=CC=CC=C2

InChI

InChI=1S/C21H31NO3S/c1-3-25-20(24)21(13-7-11-18-9-5-4-6-10-18)14-8-15-22(17-21)19(23)12-16-26-2/h4-6,9-10H,3,7-8,11-17H2,1-2H3/t21-/m0/s1