ethyl (2R,3R)-2-methyl-1-(phenylmethyl)-6-sulfanylidene-piperidine-3-carboxylate

Systemtic Name: ethyl (2R,3R)-2-methyl-1-(phenylmethyl)-6-sulfanylidene-piperidine-3-carboxylate Openeye Name: ethyl (2R,3R)-1-benzyl-2-methyl-6-thioxo-piperidine-3-carboxylate CAS Name: (2R,3R)-2-methyl-1-(phenylmethyl)-6-sulfanylidene-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R)-1-benzyl-2-methyl-6-sulfanylidenepiperidine-3-carboxylate Traditional Name: (2R,3R)-1-benzyl-2-methyl-6-thioxo-nipecotic acid ethyl ester Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(=S)N(C1C)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2S/c1-3-19-16(18)14-9-10-15(20)17(12(14)2)11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3/t12-,14-/m1/s1