tert-butyl 1-phenyl-1,2-thiazolidin-1-ium-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: tert-butyl 1-phenyl-1,2-thiazolidin-1-ium-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: tert-butyl 1-phenylisothiazolidin-1-ium-2-carboxylate; 2,2,2-trifluoroacetate CAS Name: 1-phenyl-2-isothiazolidin-1-iumcarboxylic acid tert-butyl ester; 2,2,2-trifluoroacetate IUPAC Name: tert-butyl 1-phenyl-1,2-thiazolidin-1-ium-2-carboxylate; 2,2,2-trifluoroacetate Traditional Name: 1-phenylisothiazolidin-1-ium-2-carboxylic acid tert-butyl ester; 2,2,2-trifluoroacetate Formula: C16H20F3NO4S MolecularWeight: 379.39451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC[S+]1C2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[S+]1C2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C14H20NO2S.C2HF3O2/c1-14(2,3)17-13(16)15-10-7-11-18(15)12-8-5-4-6-9-12;3-2(4,5)1(6)7/h4-6,8-9H,7,10-11H2,1-3H3;(H,6,7)/q+1;/p-1