(phenylmethyl) (2S,3S)-2-(ethanoylsulfanylmethyl)-2-methyl-3-phenylmethoxy-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,3S)-2-(ethanoylsulfanylmethyl)-2-methyl-3-phenylmethoxy-pyrrolidine-1-carboxylate Openeye Name: benzyl (2S,3S)-2-(acetylsulfanylmethyl)-3-benzyloxy-2-methyl-pyrrolidine-1-carboxylate CAS Name: (2S,3S)-2-[(acetylthio)methyl]-2-methyl-3-phenylmethoxy-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-2-(acetylsulfanylmethyl)-2-methyl-3-phenylmethoxypyrrolidine-1-carboxylate Traditional Name: (2S,3S)-2-[(acetylthio)methyl]-3-benzoxy-2-methyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1(C(CCN1C(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)C

Isomeric SMILES

CC(=O)SC[C@@]1([C@H](CCN1C(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)C

InChI

InChI=1S/C23H27NO4S/c1-18(25)29-17-23(2)21(27-15-19-9-5-3-6-10-19)13-14-24(23)22(26)28-16-20-11-7-4-8-12-20/h3-12,21H,13-17H2,1-2H3/t21-,23+/m0/s1