ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(3-methoxyphenyl)methyl]-1-[3-(methylthio)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylate Traditional Name: (3S)-3-m-anisyl-1-[3-(methylthio)propanoyl]nipecotic acid ethyl ester Formula: C20H29NO4S MolecularWeight: 379.51356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCSC)CC2=CC(=CC=C2)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CCSC)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C20H29NO4S/c1-4-25-19(23)20(14-16-7-5-8-17(13-16)24-2)10-6-11-21(15-20)18(22)9-12-26-3/h5,7-8,13H,4,6,9-12,14-15H2,1-3H3/t20-/m0/s1