2-(4-methyl-2-phenethylsulfanyl-1,3-thiazol-5-yl)ethanoic acid

Systemtic Name: 2-(4-methyl-2-phenethylsulfanyl-1,3-thiazol-5-yl)ethanoic acid Openeye Name: 2-(4-methyl-2-phenethylsulfanyl-thiazol-5-yl)acetic acid CAS Name: 2-[4-methyl-2-(phenethylthio)-5-thiazolyl]acetic acid IUPAC Name: 2-(4-methyl-2-phenethylsulfanyl-1,3-thiazol-5-yl)acetic acid Traditional Name: 2-[4-methyl-2-(phenethylthio)thiazol-5-yl]acetic acid Formula: C14H15NO2S2 MolecularWeight: 293.4044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C14H15NO2S2/c1-10-12(9-13(16)17)19-14(15-10)18-8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,16,17)