methyl 5-[[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(1-benzyl-4-methylol-imidazol-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC(=CN2CC3=CC=CC=C3)CO

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC(=CN2CC3=CC=CC=C3)CO

InChI

InChI=1S/C18H18N2O4S/c1-23-17(22)16-8-7-15(24-16)12-25-18-19-14(11-21)10-20(18)9-13-5-3-2-4-6-13/h2-8,10,21H,9,11-12H2,1H3