tert-butyl (2R,6R)-2-(phenoxycarbothioyloxymethyl)-6-propyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl (2R,6R)-2-(phenoxycarbothioyloxymethyl)-6-propyl-piperidine-1-carboxylate Openeye Name: tert-butyl (2R,6R)-2-(phenoxycarbothioyloxymethyl)-6-propyl-piperidine-1-carboxylate CAS Name: (2R,6R)-2-[[phenoxy(sulfanylidene)methoxy]methyl]-6-propyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,6R)-2-(phenoxycarbothioyloxymethyl)-6-propylpiperidine-1-carboxylate Traditional Name: (2R,6R)-2-(phenoxycarbothioyloxymethyl)-6-propyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCC(N1C(=O)OC(C)(C)C)COC(=S)OC2=CC=CC=C2

Isomeric SMILES

CCC[C@@H]1CCC[C@@H](N1C(=O)OC(C)(C)C)COC(=S)OC2=CC=CC=C2

InChI

InChI=1S/C21H31NO4S/c1-5-10-16-11-9-12-17(22(16)19(23)26-21(2,3)4)15-24-20(27)25-18-13-7-6-8-14-18/h6-8,13-14,16-17H,5,9-12,15H2,1-4H3/t16-,17-/m1/s1