(2S)-2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: (2S)-2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (2S)-2-[2-(2-cyanoethylamino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: (2S)-2-[[2-(2-cyanoethylamino)-2-oxoethyl]thio]propanoate IUPAC Name: (2S)-2-[2-(2-cyanoethylamino)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2S)-2-[[2-(2-cyanoethylamino)-2-keto-ethyl]thio]propionate Formula: C8H11N2O3S- MolecularWeight: 215.24954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC(=O)NCCC#N

Isomeric SMILES

C[C@@H](C(=O)[O-])SCC(=O)NCCC#N

InChI

InChI=1S/C8H12N2O3S/c1-6(8(12)13)14-5-7(11)10-4-2-3-9/h6H,2,4-5H2,1H3,(H,10,11)(H,12,13)/p-1/t6-/m0/s1