tert-butyl 2-[1-methylsulfanyl-3-oxidanylidene-3-(phenethylamino)propyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[1-methylsulfanyl-3-oxidanylidene-3-(phenethylamino)propyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[1-methylsulfanyl-3-oxo-3-(phenethylamino)propyl]pyrrolidine-1-carboxylate CAS Name: 2-[1-(methylthio)-3-oxo-3-(phenethylamino)propyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-methylsulfanyl-3-oxo-3-(phenethylamino)propyl]pyrrolidine-1-carboxylate Traditional Name: 2-[3-keto-1-(methylthio)-3-(phenethylamino)propyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H32N2O3S MolecularWeight: 392.55538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(CC(=O)NCCC2=CC=CC=C2)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(CC(=O)NCCC2=CC=CC=C2)SC

InChI

InChI=1S/C21H32N2O3S/c1-21(2,3)26-20(25)23-14-8-11-17(23)18(27-4)15-19(24)22-13-12-16-9-6-5-7-10-16/h5-7,9-10,17-18H,8,11-15H2,1-4H3,(H,22,24)