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

Systemtic Name: methyl 3-[[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(hydroxymethyl)-1-(2-methoxyethyl)-2-imidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[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=CC(=C2)C(=O)OC)CO

Isomeric SMILES

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

InChI

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