methyl 3-[(2S,4S)-2-methyl-1-(phenylmethyl)-6-sulfanylidene-piperidin-4-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[(2S,4S)-2-methyl-1-(phenylmethyl)-6-sulfanylidene-piperidin-4-yl]sulfanylpropanoate Openeye Name: methyl 3-[[(2S,4S)-1-benzyl-2-methyl-6-thioxo-4-piperidyl]sulfanyl]propanoate CAS Name: 3-[[(2S,4S)-2-methyl-1-(phenylmethyl)-6-sulfanylidene-4-piperidinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(2S,4S)-1-benzyl-2-methyl-6-sulfanylidenepiperidin-4-yl]sulfanylpropanoate Traditional Name: 3-[[(2S,4S)-1-benzyl-2-methyl-6-thioxo-4-piperidyl]thio]propionic acid methyl ester Formula: C17H23NO2S2 MolecularWeight: 337.50002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(=S)N1CC2=CC=CC=C2)SCCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO2S2/c1-13-10-15(22-9-8-17(19)20-2)11-16(21)18(13)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3/t13-,15-/m0/s1