4-[[2-(cyanomethylsulfanyl)ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(cyanomethylsulfanyl)ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(cyanomethylsulfanyl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(cyanomethylthio)-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(cyanomethylsulfanyl)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(cyanomethylthio)acetyl]amino]methyl]benzoic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CSCC#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CSCC#N)C(=O)O

InChI

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