tert-butyl 1-[2-(ethanoylsulfanylmethyl)-4-oxidanylidene-pentanethioyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-(ethanoylsulfanylmethyl)-4-oxidanylidene-pentanethioyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-(acetylsulfanylmethyl)-4-oxo-pentanethioyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[(acetylthio)methyl]-4-oxo-1-sulfanylidenepentyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(acetylsulfanylmethyl)-4-oxopentanethioyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[(acetylthio)methyl]-4-keto-pentanethioyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C17H27NO4S2 MolecularWeight: 373.53058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CSC(=O)C)C(=S)N1CCCC1C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)CC(CSC(=O)C)C(=S)N1CCCC1C(=O)OC(C)(C)C

InChI

InChI=1S/C17H27NO4S2/c1-11(19)9-13(10-24-12(2)20)15(23)18-8-6-7-14(18)16(21)22-17(3,4)5/h13-14H,6-10H2,1-5H3