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

Systemtic Name: ethyl 2-[(2S,4S)-2-methyl-1-(phenylmethyl)-6-sulfanylidene-piperidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[[(2S,4S)-1-benzyl-2-methyl-6-thioxo-4-piperidyl]sulfanyl]acetate CAS Name: 2-[[(2S,4S)-2-methyl-1-(phenylmethyl)-6-sulfanylidene-4-piperidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S,4S)-1-benzyl-2-methyl-6-sulfanylidenepiperidin-4-yl]sulfanylacetate Traditional Name: 2-[[(2S,4S)-1-benzyl-2-methyl-6-thioxo-4-piperidyl]thio]acetic acid ethyl ester Formula: C17H23NO2S2 MolecularWeight: 337.50002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1CC(N(C(=S)C1)CC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)CS[C@H]1C[C@@H](N(C(=S)C1)CC2=CC=CC=C2)C

InChI

InChI=1S/C17H23NO2S2/c1-3-20-17(19)12-22-15-9-13(2)18(16(21)10-15)11-14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3/t13-,15-/m0/s1