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

Systemtic Name: ethyl 2-[(2R,4S)-2-phenyl-1-(phenylmethyl)-6-sulfanylidene-piperidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[[(2R,4S)-1-benzyl-2-phenyl-6-thioxo-4-piperidyl]sulfanyl]acetate CAS Name: 2-[[(2R,4S)-2-phenyl-1-(phenylmethyl)-6-sulfanylidene-4-piperidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2R,4S)-1-benzyl-2-phenyl-6-sulfanylidenepiperidin-4-yl]sulfanylacetate Traditional Name: 2-[[(2R,4S)-1-benzyl-2-phenyl-6-thioxo-4-piperidyl]thio]acetic acid ethyl ester Formula: C22H25NO2S2 MolecularWeight: 399.5694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1CC(N(C(=S)C1)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO2S2/c1-2-25-22(24)16-27-19-13-20(18-11-7-4-8-12-18)23(21(26)14-19)15-17-9-5-3-6-10-17/h3-12,19-20H,2,13-16H2,1H3/t19-,20+/m0/s1