3-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[N-(cyanomethyl)anilino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[N-(cyanomethyl)anilino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[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:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c14-7-8-15(11-4-2-1-3-5-11)12(16)10-19-9-6-13(17)18/h1-5H,6,8-10H2,(H,17,18)