tert-butyl 1-[2-(cyanomethyl)-3-ethanoylsulfanyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-(cyanomethyl)-3-ethanoylsulfanyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-(acetylsulfanylmethyl)-3-cyano-propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[(acetylthio)methyl]-3-cyano-1-oxopropyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(acetylsulfanylmethyl)-3-cyanopropanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[(acetylthio)methyl]-3-cyano-propanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C16H24N2O4S MolecularWeight: 340.43776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC#N)C(=O)N1CCCC1C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCC(CC#N)C(=O)N1CCCC1C(=O)OC(C)(C)C

InChI

InChI=1S/C16H24N2O4S/c1-11(19)23-10-12(7-8-17)14(20)18-9-5-6-13(18)15(21)22-16(2,3)4/h12-13H,5-7,9-10H2,1-4H3