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

Systemtic Name: 3-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 3-[2-(cyanomethylamino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(cyanomethylamino)-2-oxoethyl]thio]propanoate IUPAC Name: 3-[2-(cyanomethylamino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(cyanomethylamino)-2-keto-ethyl]thio]propionate Formula: C7H9N2O3S- MolecularWeight: 201.22296

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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)/p-1