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

Systemtic Name: methyl 4-[[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(hydroxymethyl)-1-(2-methoxyethyl)-2-imidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[1-(2-methoxyethyl)-5-methylol-imidazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=CN=C1SCC2=CC=C(C=C2)C(=O)OC)CO

Isomeric SMILES

COCCN1C(=CN=C1SCC2=CC=C(C=C2)C(=O)OC)CO

InChI

InChI=1S/C16H20N2O4S/c1-21-8-7-18-14(10-19)9-17-16(18)23-11-12-3-5-13(6-4-12)15(20)22-2/h3-6,9,19H,7-8,10-11H2,1-2H3