2-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-[N-(cyanomethyl)anilino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-[N-(cyanomethyl)anilino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-[N-(cyanomethyl)anilino]-2-keto-ethyl]thio]propionic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)N(CC#N)C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)O)SCC(=O)N(CC#N)C1=CC=CC=C1

InChI

InChI=1S/C13H14N2O3S/c1-10(13(17)18)19-9-12(16)15(8-7-14)11-5-3-2-4-6-11/h2-6,10H,8-9H2,1H3,(H,17,18)