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

Systemtic Name: methyl 3-[[1-(1,3-benzodioxol-5-ylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[1-(1,3-benzodioxol-5-ylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[1-(1,3-benzodioxol-5-ylmethyl)-5-(hydroxymethyl)-2-imidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(1,3-benzodioxol-5-ylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[(5-methylol-1-piperonyl-imidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC=C(N2CC3=CC4=C(C=C3)OCO4)CO

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC=C(N2CC3=CC4=C(C=C3)OCO4)CO

InChI

InChI=1S/C21H20N2O5S/c1-26-20(25)16-4-2-3-15(7-16)12-29-21-22-9-17(11-24)23(21)10-14-5-6-18-19(8-14)28-13-27-18/h2-9,24H,10-13H2,1H3