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

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-[3-(methylthio)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-[3-(methylthio)propanoyl]nipecotic acid ethyl ester Formula: C19H26ClNO3S MolecularWeight: 383.93264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClNO3S/c1-3-24-18(23)19(13-15-6-4-7-16(20)12-15)9-5-10-21(14-19)17(22)8-11-25-2/h4,6-7,12H,3,5,8-11,13-14H2,1-2H3/t19-/m0/s1