tert-butyl (2S,4S)-4-ethanoylsulfanyl-2-(1-ethylpiperidin-4-yl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4S)-4-ethanoylsulfanyl-2-(1-ethylpiperidin-4-yl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4S)-4-acetylsulfanyl-2-(1-ethyl-4-piperidyl)pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-(acetylthio)-2-(1-ethyl-4-piperidinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4S)-4-acetylsulfanyl-2-(1-ethylpiperidin-4-yl)pyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-(acetylthio)-2-(1-ethyl-4-piperidyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H32N2O3S MolecularWeight: 356.52328

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)C2CC(CN2C(=O)OC(C)(C)C)SC(=O)C

Isomeric SMILES

CCN1CCC(CC1)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)SC(=O)C

InChI

InChI=1S/C18H32N2O3S/c1-6-19-9-7-14(8-10-19)16-11-15(24-13(2)21)12-20(16)17(22)23-18(3,4)5/h14-16H,6-12H2,1-5H3/t15-,16-/m0/s1