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

Systemtic Name: 4-[[methyl-(phenylmethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[[benzyl(methyl)amino]methyl]thiazole-2-carboxylic acid CAS Name: 4-[[methyl-(phenylmethyl)amino]methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[[benzyl(methyl)amino]methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[[benzyl(methyl)amino]methyl]thiazole-2-carboxylic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)CC2=CSC(=N2)C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)CC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C13H14N2O2S/c1-15(7-10-5-3-2-4-6-10)8-11-9-18-12(14-11)13(16)17/h2-6,9H,7-8H2,1H3,(H,16,17)