2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[4-(hydroxymethyl)-1-(p-tolylmethyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-2-imidazolyl]thio]acetate IUPAC Name: 2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(4-methylbenzyl)-4-methylol-imidazol-2-yl]thio]acetate Formula: C14H15N2O3S- MolecularWeight: 291.3455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(N=C2SCC(=O)[O-])CO

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(N=C2SCC(=O)[O-])CO

InChI

InChI=1S/C14H16N2O3S/c1-10-2-4-11(5-3-10)6-16-7-12(8-17)15-14(16)20-9-13(18)19/h2-5,7,17H,6,8-9H2,1H3,(H,18,19)/p-1