2-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(2,4,6-trimethylphenyl)-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[(1-mesitylimidazol-2-yl)thio]acetate Formula: C14H15N2O2S- MolecularWeight: 275.3461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C=CN=C2SCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C=CN=C2SCC(=O)[O-])C

InChI

InChI=1S/C14H16N2O2S/c1-9-6-10(2)13(11(3)7-9)16-5-4-15-14(16)19-8-12(17)18/h4-7H,8H2,1-3H3,(H,17,18)/p-1