tert-butyl 2-[2-(4-methoxyphenyl)sulfanyl-1-oxidanyl-ethyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-(4-methoxyphenyl)sulfanyl-1-oxidanyl-ethyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[1-hydroxy-2-(4-methoxyphenyl)sulfanyl-ethyl]pyrrolidine-1-carboxylate CAS Name: 2-[1-hydroxy-2-[(4-methoxyphenyl)thio]ethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-hydroxy-2-(4-methoxyphenyl)sulfanylethyl]pyrrolidine-1-carboxylate Traditional Name: 2-[1-hydroxy-2-[(4-methoxyphenyl)thio]ethyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(CSC2=CC=C(C=C2)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(CSC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C18H27NO4S/c1-18(2,3)23-17(21)19-11-5-6-15(19)16(20)12-24-14-9-7-13(22-4)8-10-14/h7-10,15-16,20H,5-6,11-12H2,1-4H3