tert-butyl (2S,4S)-4-ethanoylsulfanyl-2-[1-[2-(oxan-2-yloxy)ethyl]piperidin-4-yl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4S)-4-ethanoylsulfanyl-2-[1-[2-(oxan-2-yloxy)ethyl]piperidin-4-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4S)-4-acetylsulfanyl-2-[1-(2-tetrahydropyran-2-yloxyethyl)-4-piperidyl]pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-(acetylthio)-2-[1-[2-(2-oxanyloxy)ethyl]-4-piperidinyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4S)-4-acetylsulfanyl-2-[1-[2-(oxan-2-yloxy)ethyl]piperidin-4-yl]pyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-(acetylthio)-2-[1-(2-tetrahydropyran-2-yloxyethyl)-4-piperidyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H40N2O5S MolecularWeight: 456.6391

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OC(C)(C)C)C2CCN(CC2)CCOC3CCCCO3

Isomeric SMILES

CC(=O)S[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C2CCN(CC2)CCOC3CCCCO3

InChI

InChI=1S/C23H40N2O5S/c1-17(26)31-19-15-20(25(16-19)22(27)30-23(2,3)4)18-8-10-24(11-9-18)12-14-29-21-7-5-6-13-28-21/h18-21H,5-16H2,1-4H3/t19-,20-,21?/m0/s1