tert-butyl (2S)-2-(2-ethanoylsulfanylethylcarbamoyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-(2-ethanoylsulfanylethylcarbamoyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-(2-acetylsulfanylethylcarbamoyl)pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[2-(acetylthio)ethylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(2-acetylsulfanylethylcarbamoyl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[2-(acetylthio)ethylcarbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C14H24N2O4S MolecularWeight: 316.41636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCNC(=O)C1CCCN1C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

InChI

InChI=1S/C14H24N2O4S/c1-10(17)21-9-7-15-12(18)11-6-5-8-16(11)13(19)20-14(2,3)4/h11H,5-9H2,1-4H3,(H,15,18)/t11-/m0/s1