3-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: 3-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 3-[2-(2-cyanoethylamino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(2-cyanoethylamino)-2-oxoethyl]thio]propanoate IUPAC Name: 3-[2-(2-cyanoethylamino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(2-cyanoethylamino)-2-keto-ethyl]thio]propionate Formula: C8H11N2O3S- MolecularWeight: 215.24954

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Descriptors Computed from Structure

Canonical SMILES:

C(CNC(=O)CSCCC(=O)[O-])C#N

Isomeric SMILES

C(CNC(=O)CSCCC(=O)[O-])C#N

InChI

InChI=1S/C8H12N2O3S/c9-3-1-4-10-7(11)6-14-5-2-8(12)13/h1-2,4-6H2,(H,10,11)(H,12,13)/p-1