tert-butyl 2-[2-(phenylmethylsulfanyl)ethylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-(phenylmethylsulfanyl)ethylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-benzylsulfanylethylcarbamoyl)pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[2-(phenylmethylthio)ethylamino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-benzylsulfanylethylcarbamoyl)pyrrolidine-1-carboxylate Traditional Name: 2-[2-(benzylthio)ethylcarbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C19H28N2O3S/c1-19(2,3)24-18(23)21-12-7-10-16(21)17(22)20-11-13-25-14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3,(H,20,22)