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

Systemtic Name: methyl 4-[[5-(hydroxymethyl)-1-(thiophen-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(hydroxymethyl)-1-(2-thienylmethyl)imidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(hydroxymethyl)-1-(thiophen-2-ylmethyl)-2-imidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(hydroxymethyl)-1-(thiophen-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-methylol-1-(2-thenyl)imidazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC=C(N2CC3=CC=CS3)CO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC=C(N2CC3=CC=CS3)CO

InChI

InChI=1S/C18H18N2O3S2/c1-23-17(22)14-6-4-13(5-7-14)12-25-18-19-9-15(11-21)20(18)10-16-3-2-8-24-16/h2-9,21H,10-12H2,1H3