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

Systemtic Name: 2-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[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:

CC(C(=O)O)SCC(=O)NC1=CC=C(C=C1)CC#N

Isomeric SMILES

CC(C(=O)O)SCC(=O)NC1=CC=C(C=C1)CC#N

InChI

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