S-(2-acetamidoethyl) 2-azanylethanethioate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: S-(2-acetamidoethyl) 2-azanylethanethioate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: S-(2-acetamidoethyl) 2-aminoethanethioate; 2,2,2-trifluoroacetate CAS Name: 2-aminoethanethioic acid S-(2-acetamidoethyl) ester; 2,2,2-trifluoroacetate IUPAC Name: S-(2-acetamidoethyl) 2-aminoethanethioate; 2,2,2-trifluoroacetate Traditional Name: 2-aminoethanethioic acid S-(2-acetamidoethyl) ester; 2,2,2-trifluoroacetate Formula: C8H12F3N2O4S- MolecularWeight: 289.25209

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC(=O)CN.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(=O)NCCSC(=O)CN.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C6H12N2O2S.C2HF3O2/c1-5(9)8-2-3-11-6(10)4-7;3-2(4,5)1(6)7/h2-4,7H2,1H3,(H,8,9);(H,6,7)/p-1