2-[[2-(cyanomethylsulfanyl)phenyl]carbonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(cyanomethylsulfanyl)phenyl]carbonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]-methyl-amino]acetic acid CAS Name: 2-[[[2-(cyanomethylthio)phenyl]-oxomethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]-methylamino]acetic acid Traditional Name: 2-[[2-(cyanomethylthio)benzoyl]-methyl-amino]acetic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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