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

Systemtic Name: 2-[2-(3,3-dimethylbutylsulfanyl)-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(3,3-dimethylbutylsulfanyl)-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-(3,3-dimethylbutylthio)-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(3,3-dimethylbutylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-(3,3-dimethylbutylthio)-4-methyl-thiazol-5-yl]acetic acid Formula: C12H19NO2S2 MolecularWeight: 273.41476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO2S2/c1-8-9(7-10(14)15)17-11(13-8)16-6-5-12(2,3)4/h5-7H2,1-4H3,(H,14,15)