2-[4-[2-(cyanomethylsulfanyl)ethanoylamino]phenyl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)NC(=O)CSCC#N

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)NC(=O)CSCC#N

InChI

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