4-[2-(1-methylimidazol-2-yl)sulfanylethoxy]benzoic acid

Systemtic Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethoxy]benzoic acid Openeye Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethoxy]benzoic acid CAS Name: 4-[2-[(1-methyl-2-imidazolyl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethoxy]benzoic acid Traditional Name: 4-[2-[(1-methylimidazol-2-yl)thio]ethoxy]benzoic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1C=CN=C1SCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-15-7-6-14-13(15)19-9-8-18-11-4-2-10(3-5-11)12(16)17/h2-7H,8-9H2,1H3,(H,16,17)