2-(3-methyl-2-sulfanylidene-imidazol-1-yl)propanoic acid

Systemtic Name: 2-(3-methyl-2-sulfanylidene-imidazol-1-yl)propanoic acid Openeye Name: 2-(3-methyl-2-thioxo-imidazol-1-yl)propanoic acid CAS Name: 2-(3-methyl-2-sulfanylidene-1-imidazolyl)propanoic acid IUPAC Name: 2-(3-methyl-2-sulfanylideneimidazol-1-yl)propanoic acid Traditional Name: 2-(3-methyl-2-thioxo-4-imidazolin-1-yl)propionic acid Formula: C7H10N2O2S MolecularWeight: 186.2315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C=CN(C1=S)C

Isomeric SMILES

CC(C(=O)O)N1C=CN(C1=S)C

InChI

InChI=1S/C7H10N2O2S/c1-5(6(10)11)9-4-3-8(2)7(9)12/h3-5H,1-2H3,(H,10,11)