4-[2-(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylethoxy]benzoate

Systemtic Name: 4-[2-(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylethoxy]benzoate Openeye Name: 4-[2-(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylethoxy]benzoate CAS Name: 4-[2-[(1-ethyl-4,5-dimethyl-2-imidazolyl)thio]ethoxy]benzoate IUPAC Name: 4-[2-(1-ethyl-4,5-dimethylimidazol-2-yl)sulfanylethoxy]benzoate Traditional Name: 4-[2-[(1-ethyl-4,5-dimethyl-imidazol-2-yl)thio]ethoxy]benzoate Formula: C16H19N2O3S- MolecularWeight: 319.39866

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCOC2=CC=C(C=C2)C(=O)[O-])C)C

Isomeric SMILES

CCN1C(=C(N=C1SCCOC2=CC=C(C=C2)C(=O)[O-])C)C

InChI

InChI=1S/C16H20N2O3S/c1-4-18-12(3)11(2)17-16(18)22-10-9-21-14-7-5-13(6-8-14)15(19)20/h5-8H,4,9-10H2,1-3H3,(H,19,20)/p-1