N-[[[1-(2-cyanopyrrolidin-1-yl)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[[[1-(2-cyanopyrrolidin-1-yl)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]ethanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[[[2-(2-cyanopyrrolidin-1-yl)-2-oxo-1-(sulfanylmethyl)ethyl]amino]methyl]acetamide; 2,2,2-trifluoroacetic acid CAS Name: N-[[[1-(2-cyano-1-pyrrolidinyl)-3-mercapto-1-oxopropan-2-yl]amino]methyl]acetamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[[[1-(2-cyanopyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]amino]methyl]acetamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[[[2-(2-cyanopyrrolidino)-2-keto-1-(mercaptomethyl)ethyl]amino]methyl]acetamide; 2,2,2-trifluoroacetic acid Formula: C13H19F3N4O4S MolecularWeight: 384.37457

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCNC(CS)C(=O)N1CCCC1C#N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(=O)NCNC(CS)C(=O)N1CCCC1C#N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C11H18N4O2S.C2HF3O2/c1-8(16)13-7-14-10(6-18)11(17)15-4-2-3-9(15)5-12;3-2(4,5)1(6)7/h9-10,14,18H,2-4,6-7H2,1H3,(H,13,16);(H,6,7)