4-[2-(cyanomethylsulfanyl)ethanoylamino]butanoic acid

Systemtic Name: 4-[2-(cyanomethylsulfanyl)ethanoylamino]butanoic acid Openeye Name: 4-[[2-(cyanomethylsulfanyl)acetyl]amino]butanoic acid CAS Name: 4-[[2-(cyanomethylthio)-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(cyanomethylsulfanyl)acetyl]amino]butanoic acid Traditional Name: 4-[[2-(cyanomethylthio)acetyl]amino]butyric acid Formula: C8H12N2O3S MolecularWeight: 216.25748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)CNC(=O)CSCC#N

Isomeric SMILES

C(CC(=O)O)CNC(=O)CSCC#N

InChI

InChI=1S/C8H12N2O3S/c9-3-5-14-6-7(11)10-4-1-2-8(12)13/h1-2,4-6H2,(H,10,11)(H,12,13)