tert-butyl 1-[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[(acetylthio)methyl]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29NO4S/c1-15(23)27-14-17(13-16-9-6-5-7-10-16)19(24)22-12-8-11-18(22)20(25)26-21(2,3)4/h5-7,9-10,17-18H,8,11-14H2,1-4H3