methyl 4-[[5-(hydroxymethyl)-1-propan-2-yl-imidazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(hydroxymethyl)-1-propan-2-yl-imidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(hydroxymethyl)-1-isopropyl-imidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(hydroxymethyl)-1-propan-2-yl-2-imidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(hydroxymethyl)-1-propan-2-ylimidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(1-isopropyl-5-methylol-imidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CN=C1SCC2=CC=C(C=C2)C(=O)OC)CO

Isomeric SMILES

CC(C)N1C(=CN=C1SCC2=CC=C(C=C2)C(=O)OC)CO

InChI

InChI=1S/C16H20N2O3S/c1-11(2)18-14(9-19)8-17-16(18)22-10-12-4-6-13(7-5-12)15(20)21-3/h4-8,11,19H,9-10H2,1-3H3