tert-butyl (2S)-2-(phenethylsulfanylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-(phenethylsulfanylmethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-(phenethylsulfanylmethyl)pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(phenethylthio)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(phenethylsulfanylmethyl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(phenethylthio)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H27NO2S MolecularWeight: 321.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1CSCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1CSCCC2=CC=CC=C2

InChI

InChI=1S/C18H27NO2S/c1-18(2,3)21-17(20)19-12-7-10-16(19)14-22-13-11-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3/t16-/m0/s1