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

Systemtic Name: methyl 3-[(2R,4S)-2-phenyl-1-(phenylmethyl)-6-sulfanylidene-piperidin-4-yl]sulfanylpropanoate Openeye Name: methyl 3-[[(2R,4S)-1-benzyl-2-phenyl-6-thioxo-4-piperidyl]sulfanyl]propanoate CAS Name: 3-[[(2R,4S)-2-phenyl-1-(phenylmethyl)-6-sulfanylidene-4-piperidinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(2R,4S)-1-benzyl-2-phenyl-6-sulfanylidenepiperidin-4-yl]sulfanylpropanoate Traditional Name: 3-[[(2R,4S)-1-benzyl-2-phenyl-6-thioxo-4-piperidyl]thio]propionic acid methyl ester Formula: C22H25NO2S2 MolecularWeight: 399.5694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1CC(N(C(=S)C1)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCS[C@H]1C[C@@H](N(C(=S)C1)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO2S2/c1-25-22(24)12-13-27-19-14-20(18-10-6-3-7-11-18)23(21(26)15-19)16-17-8-4-2-5-9-17/h2-11,19-20H,12-16H2,1H3/t19-,20+/m0/s1