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

Systemtic Name: methyl 3-[[5-(hydroxymethyl)-1-prop-2-ynyl-imidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[5-(hydroxymethyl)-1-prop-2-ynyl-imidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(hydroxymethyl)-1-prop-2-ynyl-2-imidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(hydroxymethyl)-1-prop-2-ynylimidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[(5-methylol-1-propargyl-imidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC=C(N2CC#C)CO

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC=C(N2CC#C)CO

InChI

InChI=1S/C16H16N2O3S/c1-3-7-18-14(10-19)9-17-16(18)22-11-12-5-4-6-13(8-12)15(20)21-2/h1,4-6,8-9,19H,7,10-11H2,2H3