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

Systemtic Name: methyl 4-[2-(1-methylimidazol-2-yl)sulfanylethanoyl]benzoate Openeye Name: methyl 4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]benzoate CAS Name: 4-[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]benzoate Traditional Name: 4-[2-[(1-methylimidazol-2-yl)thio]acetyl]benzoic acid methyl ester Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3S/c1-16-8-7-15-14(16)20-9-12(17)10-3-5-11(6-4-10)13(18)19-2/h3-8H,9H2,1-2H3