4-[3-(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylpropoxy]benzoate

Systemtic Name: 4-[3-(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylpropoxy]benzoate Openeye Name: 4-[3-(1-ethyl-4,5-dimethyl-imidazol-2-yl)sulfanylpropoxy]benzoate CAS Name: 4-[3-[(1-ethyl-4,5-dimethyl-2-imidazolyl)thio]propoxy]benzoate IUPAC Name: 4-[3-(1-ethyl-4,5-dimethylimidazol-2-yl)sulfanylpropoxy]benzoate Traditional Name: 4-[3-[(1-ethyl-4,5-dimethyl-imidazol-2-yl)thio]propoxy]benzoate Formula: C17H21N2O3S- MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCOC2=CC=C(C=C2)C(=O)[O-])C)C

Isomeric SMILES

CCN1C(=C(N=C1SCCCOC2=CC=C(C=C2)C(=O)[O-])C)C

InChI

InChI=1S/C17H22N2O3S/c1-4-19-13(3)12(2)18-17(19)23-11-5-10-22-15-8-6-14(7-9-15)16(20)21/h6-9H,4-5,10-11H2,1-3H3,(H,20,21)/p-1