methyl 2-[1-(furan-2-ylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylpropanoate

Systemtic Name: methyl 2-[1-(furan-2-ylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylpropanoate Openeye Name: methyl 2-[1-(2-furylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylpropanoate CAS Name: 2-[[1-(2-furanylmethyl)-5-(hydroxymethyl)-2-imidazolyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[1-(furan-2-ylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylpropanoate Traditional Name: 2-[[1-(2-furfuryl)-5-methylol-imidazol-2-yl]thio]propionic acid methyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC=C(N1CC2=CC=CO2)CO

Isomeric SMILES

CC(C(=O)OC)SC1=NC=C(N1CC2=CC=CO2)CO

InChI

InChI=1S/C13H16N2O4S/c1-9(12(17)18-2)20-13-14-6-10(8-16)15(13)7-11-4-3-5-19-11/h3-6,9,16H,7-8H2,1-2H3