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

Systemtic Name: ethyl (3S)-1-(3-methylsulfanylpropanoyl)-3-phenethyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(3-methylsulfanylpropanoyl)-3-phenethyl-piperidine-3-carboxylate CAS Name: (3S)-1-[3-(methylthio)-1-oxopropyl]-3-phenethyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(3-methylsulfanylpropanoyl)-3-phenethylpiperidine-3-carboxylate Traditional Name: (3S)-1-[3-(methylthio)propanoyl]-3-phenethyl-nipecotic acid ethyl ester Formula: C20H29NO3S MolecularWeight: 363.51416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCSC)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)CCSC)CCC2=CC=CC=C2

InChI

InChI=1S/C20H29NO3S/c1-3-24-19(23)20(13-10-17-8-5-4-6-9-17)12-7-14-21(16-20)18(22)11-15-25-2/h4-6,8-9H,3,7,10-16H2,1-2H3/t20-/m1/s1