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

Systemtic Name: 2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[4-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[(1-benzyl-4-methylol-imidazol-2-yl)thio]acetate Formula: C13H13N2O3S- MolecularWeight: 277.31892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c16-8-11-7-15(6-10-4-2-1-3-5-10)13(14-11)19-9-12(17)18/h1-5,7,16H,6,8-9H2,(H,17,18)/p-1