4-[[2-cyanoethyl(methyl)amino]methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[[2-cyanoethyl(methyl)amino]methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[[2-cyanoethyl(methyl)amino]methyl]thiazole-2-carboxylic acid CAS Name: 4-[[2-cyanoethyl(methyl)amino]methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[[2-cyanoethyl(methyl)amino]methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[[2-cyanoethyl(methyl)amino]methyl]thiazole-2-carboxylic acid Formula: C9H11N3O2S MolecularWeight: 225.26754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)CC1=CSC(=N1)C(=O)O

Isomeric SMILES

CN(CCC#N)CC1=CSC(=N1)C(=O)O

InChI

InChI=1S/C9H11N3O2S/c1-12(4-2-3-10)5-7-6-15-8(11-7)9(13)14/h6H,2,4-5H2,1H3,(H,13,14)