3-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(cyanomethylsulfanyl)benzoyl]amino]propanoic acid CAS Name: 3-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(cyanomethylsulfanyl)benzoyl]amino]propanoic acid Traditional Name: 3-[[2-(cyanomethylthio)benzoyl]amino]propionic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3S/c13-6-8-18-10-4-2-1-3-9(10)12(17)14-7-5-11(15)16/h1-4H,5,7-8H2,(H,14,17)(H,15,16)