(phenylmethyl) (3S)-3-(2-phenylsulfanylethyl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (3S)-3-(2-phenylsulfanylethyl)piperidine-1-carboxylate Openeye Name: benzyl (3S)-3-(2-phenylsulfanylethyl)piperidine-1-carboxylate CAS Name: (3S)-3-[2-(phenylthio)ethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-(2-phenylsulfanylethyl)piperidine-1-carboxylate Traditional Name: (3S)-3-[2-(phenylthio)ethyl]piperidine-1-carboxylic acid benzyl ester Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)CCSC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)OCC2=CC=CC=C2)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H25NO2S/c23-21(24-17-19-8-3-1-4-9-19)22-14-7-10-18(16-22)13-15-25-20-11-5-2-6-12-20/h1-6,8-9,11-12,18H,7,10,13-17H2/t18-/m0/s1