2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[2-(p-tolyl)thiazol-4-yl]methylsulfanyl]acetic acid CAS Name: 2-[[2-(4-methylphenyl)-4-thiazolyl]methylthio]acetic acid IUPAC Name: 2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[2-(p-tolyl)thiazol-4-yl]methylthio]acetic acid Formula: C13H13NO2S2 MolecularWeight: 279.37782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CSCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CSCC(=O)O

InChI

InChI=1S/C13H13NO2S2/c1-9-2-4-10(5-3-9)13-14-11(7-18-13)6-17-8-12(15)16/h2-5,7H,6,8H2,1H3,(H,15,16)