tert-butyl 2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[4-(trifluoromethyl)phenyl]thio]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[[4-(trifluoromethyl)phenyl]thio]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H22F3NO2S MolecularWeight: 361.42229

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1CSC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1CSC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H22F3NO2S/c1-16(2,3)23-15(22)21-10-4-5-13(21)11-24-14-8-6-12(7-9-14)17(18,19)20/h6-9,13H,4-5,10-11H2,1-3H3