2-[2-(3,4-dimethyl-2-oxidanylidene-imidazol-1-yl)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-(3,4-dimethyl-2-oxidanylidene-imidazol-1-yl)phenyl]sulfanylethanoic acid Openeye Name: 2-[2-(3,4-dimethyl-2-oxo-imidazol-1-yl)phenyl]sulfanylacetic acid CAS Name: 2-[[2-(3,4-dimethyl-2-oxo-1-imidazolyl)phenyl]thio]acetic acid IUPAC Name: 2-[2-(3,4-dimethyl-2-oxoimidazol-1-yl)phenyl]sulfanylacetic acid Traditional Name: 2-[[2-(2-keto-3,4-dimethyl-4-imidazolin-1-yl)phenyl]thio]acetic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N1C)C2=CC=CC=C2SCC(=O)O

Isomeric SMILES

CC1=CN(C(=O)N1C)C2=CC=CC=C2SCC(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-9-7-15(13(18)14(9)2)10-5-3-4-6-11(10)19-8-12(16)17/h3-7H,8H2,1-2H3,(H,16,17)