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

Systemtic Name: tert-butyl 2-[1-ethylsulfanyl-3-oxidanylidene-3-(phenethylamino)propyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[1-ethylsulfanyl-3-oxo-3-(phenethylamino)propyl]pyrrolidine-1-carboxylate CAS Name: 2-[1-(ethylthio)-3-oxo-3-(phenethylamino)propyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-ethylsulfanyl-3-oxo-3-(phenethylamino)propyl]pyrrolidine-1-carboxylate Traditional Name: 2-[1-(ethylthio)-3-keto-3-(phenethylamino)propyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H34N2O3S MolecularWeight: 406.58196

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC(=O)NCCC1=CC=CC=C1)C2CCCN2C(=O)OC(C)(C)C

Isomeric SMILES

CCSC(CC(=O)NCCC1=CC=CC=C1)C2CCCN2C(=O)OC(C)(C)C

InChI

InChI=1S/C22H34N2O3S/c1-5-28-19(16-20(25)23-14-13-17-10-7-6-8-11-17)18-12-9-15-24(18)21(26)27-22(2,3)4/h6-8,10-11,18-19H,5,9,12-16H2,1-4H3,(H,23,25)