(phenylmethyl) (2S,3R)-2-(2-tert-butylsulfanyl-2-oxidanylidene-ethyl)-3-(4-methoxyphenyl)carbonyloxy-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,3R)-2-(2-tert-butylsulfanyl-2-oxidanylidene-ethyl)-3-(4-methoxyphenyl)carbonyloxy-piperidine-1-carboxylate Openeye Name: benzyl (2S,3R)-2-(2-tert-butylsulfanyl-2-oxo-ethyl)-3-(4-methoxybenzoyl)oxy-piperidine-1-carboxylate CAS Name: (2S,3R)-2-[2-(tert-butylthio)-2-oxoethyl]-3-[(4-methoxyphenyl)-oxomethoxy]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-2-(2-tert-butylsulfanyl-2-oxoethyl)-3-(4-methoxybenzoyl)oxypiperidine-1-carboxylate Traditional Name: (2S,3R)-2-[2-(tert-butylthio)-2-keto-ethyl]-3-p-anisoyloxy-piperidine-1-carboxylic acid benzyl ester Formula: C27H33NO6S MolecularWeight: 499.61902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC1C(CCCN1C(=O)OCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)SC(=O)C[C@H]1[C@@H](CCCN1C(=O)OCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H33NO6S/c1-27(2,3)35-24(29)17-22-23(34-25(30)20-12-14-21(32-4)15-13-20)11-8-16-28(22)26(31)33-18-19-9-6-5-7-10-19/h5-7,9-10,12-15,22-23H,8,11,16-18H2,1-4H3/t22-,23+/m0/s1