methyl (2S,4S)-4-ethanoylsulfanylpyrrolidin-1-ium-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: methyl (2S,4S)-4-ethanoylsulfanylpyrrolidin-1-ium-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: methyl (2S,4S)-4-acetylsulfanylpyrrolidin-1-ium-2-carboxylate; 2,2,2-trifluoroacetate CAS Name: (2S,4S)-4-(acetylthio)-2-pyrrolidin-1-iumcarboxylic acid methyl ester; 2,2,2-trifluoroacetate IUPAC Name: methyl (2S,4S)-4-acetylsulfanylpyrrolidin-1-ium-2-carboxylate; 2,2,2-trifluoroacetate Traditional Name: (2S,4S)-4-(acetylthio)pyrrolidin-1-ium-2-carboxylic acid methyl ester; 2,2,2-trifluoroacetate Formula: C10H14F3NO5S MolecularWeight: 317.28207

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC([NH2+]C1)C(=O)OC.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(=O)S[C@H]1C[C@H]([NH2+]C1)C(=O)OC.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C8H13NO3S.C2HF3O2/c1-5(10)13-6-3-7(9-4-6)8(11)12-2;3-2(4,5)1(6)7/h6-7,9H,3-4H2,1-2H3;(H,6,7)/t6-,7-;/m0./s1