2-[1-(4-acetamidophenyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(4-acetamidophenyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(4-acetamidophenyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(4-acetamidophenyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(4-acetamidophenyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(4-acetamidophenyl)imidazol-2-yl]thio]acetic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2C=CN=C2SCC(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2C=CN=C2SCC(=O)O

InChI

InChI=1S/C13H13N3O3S/c1-9(17)15-10-2-4-11(5-3-10)16-7-6-14-13(16)20-8-12(18)19/h2-7H,8H2,1H3,(H,15,17)(H,18,19)