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

Systemtic Name: 2-[2-(cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(cyclohexylmethylsulfanyl)-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-(cyclohexylmethylthio)-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(cyclohexylmethylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-(cyclohexylmethylthio)-4-methyl-thiazol-5-yl]acetic acid Formula: C13H19NO2S2 MolecularWeight: 285.42546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC2CCCCC2)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC2CCCCC2)CC(=O)O

InChI

InChI=1S/C13H19NO2S2/c1-9-11(7-12(15)16)18-13(14-9)17-8-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,15,16)