[(2S,3R)-3-acetyloxy-1-(phenylmethyl)-6-sulfanylidene-piperidin-2-yl]methyl ethanoate

Systemtic Name: [(2S,3R)-3-acetyloxy-1-(phenylmethyl)-6-sulfanylidene-piperidin-2-yl]methyl ethanoate Openeye Name: [(2S,3R)-3-acetoxy-1-benzyl-6-thioxo-2-piperidyl]methyl acetate CAS Name: acetic acid [(2S,3R)-3-acetyloxy-1-(phenylmethyl)-6-sulfanylidene-2-piperidinyl]methyl ester IUPAC Name: [(2S,3R)-3-acetyloxy-1-benzyl-6-sulfanylidenepiperidin-2-yl]methyl acetate Traditional Name: acetic acid [(2S,3R)-3-acetoxy-1-benzyl-6-thioxo-2-piperidyl]methyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(CCC(=S)N1CC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@H]1[C@@H](CCC(=S)N1CC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C17H21NO4S/c1-12(19)21-11-15-16(22-13(2)20)8-9-17(23)18(15)10-14-6-4-3-5-7-14/h3-7,15-16H,8-11H2,1-2H3/t15-,16+/m0/s1