2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]propanoic acid CAS Name: 2-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]propanoic acid Traditional Name: 2-[[2-(cyanomethylthio)benzoyl]amino]propionic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC=CC=C1SCC#N

Isomeric SMILES

CC(C(=O)O)NC(=O)C1=CC=CC=C1SCC#N

InChI

InChI=1S/C12H12N2O3S/c1-8(12(16)17)14-11(15)9-4-2-3-5-10(9)18-7-6-13/h2-5,8H,7H2,1H3,(H,14,15)(H,16,17)