2-[2-(cyanomethylsulfanyl)ethanoyl-methyl-amino]benzoic acid

Systemtic Name: 2-[2-(cyanomethylsulfanyl)ethanoyl-methyl-amino]benzoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)acetyl]-methyl-amino]benzoic acid CAS Name: 2-[[2-(cyanomethylthio)-1-oxoethyl]-methylamino]benzoic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)acetyl]-methylamino]benzoic acid Traditional Name: 2-[[2-(cyanomethylthio)acetyl]-methyl-amino]benzoic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)O)C(=O)CSCC#N

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)O)C(=O)CSCC#N

InChI

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