3-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[4-(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(=CC=C1CC#N)NC(=O)CSCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)CSCCC(=O)O

InChI

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