3-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(2-cyanoethylamino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(2-cyanoethylamino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(2-cyanoethylamino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(2-cyanoethylamino)-2-keto-ethyl]thio]propionic acid Formula: C8H12N2O3S MolecularWeight: 216.25748

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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)