methyl 4-[2-(1-methylimidazol-2-yl)sulfanylethanoyloxy]benzoate

Systemtic Name: methyl 4-[2-(1-methylimidazol-2-yl)sulfanylethanoyloxy]benzoate Openeye Name: methyl 4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]oxybenzoate CAS Name: 4-[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]oxybenzoate Traditional Name: 4-[2-[(1-methylimidazol-2-yl)thio]acetyl]oxybenzoic acid methyl ester Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)OC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN1C=CN=C1SCC(=O)OC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H14N2O4S/c1-16-8-7-15-14(16)21-9-12(17)20-11-5-3-10(4-6-11)13(18)19-2/h3-8H,9H2,1-2H3