2-[1-(2-acetamidoethyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(2-acetamidoethyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(2-acetamidoethyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(2-acetamidoethyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(2-acetamidoethyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(2-acetamidoethyl)imidazol-2-yl]thio]acetic acid Formula: C9H13N3O3S MolecularWeight: 243.28282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN1C=CN=C1SCC(=O)O

Isomeric SMILES

CC(=O)NCCN1C=CN=C1SCC(=O)O

InChI

InChI=1S/C9H13N3O3S/c1-7(13)10-2-4-12-5-3-11-9(12)16-6-8(14)15/h3,5H,2,4,6H2,1H3,(H,10,13)(H,14,15)