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

Systemtic Name: 3-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(cyanomethylamino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(cyanomethylamino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(cyanomethylamino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(cyanomethylamino)-2-keto-ethyl]thio]propionic acid Formula: C7H10N2O3S MolecularWeight: 202.2309

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Descriptors Computed from Structure

Canonical SMILES:

C(CSCC(=O)NCC#N)C(=O)O

Isomeric SMILES

C(CSCC(=O)NCC#N)C(=O)O

InChI

InChI=1S/C7H10N2O3S/c8-2-3-9-6(10)5-13-4-1-7(11)12/h1,3-5H2,(H,9,10)(H,11,12)