2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(2-cyanoethylamino)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-(2-cyanoethylamino)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(2-cyanoethylamino)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-(2-cyanoethylamino)-2-keto-ethyl]thio]acetic acid Formula: C7H10N2O3S MolecularWeight: 202.2309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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