2-[2-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(cyanomethylsulfanyl)-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-(cyanomethylthio)-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-(cyanomethylthio)-4-methyl-thiazol-5-yl]acetic acid Formula: C8H8N2O2S2 MolecularWeight: 228.29132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC#N)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC#N)CC(=O)O

InChI

InChI=1S/C8H8N2O2S2/c1-5-6(4-7(11)12)14-8(10-5)13-3-2-9/h3-4H2,1H3,(H,11,12)