methyl 3-[[5-(hydroxymethyl)-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[5-(hydroxymethyl)-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[5-(hydroxymethyl)-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(hydroxymethyl)-1-(2-oxolanylmethyl)-2-imidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(hydroxymethyl)-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-methylol-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC=C(N2CC3CCCO3)CO

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC=C(N2CC3CCCO3)CO

InChI

InChI=1S/C18H22N2O4S/c1-23-17(22)14-5-2-4-13(8-14)12-25-18-19-9-15(11-21)20(18)10-16-6-3-7-24-16/h2,4-5,8-9,16,21H,3,6-7,10-12H2,1H3