4-[1-(2,6-dimethoxyphenyl)-2-imidazol-1-yl-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[1-(2,6-dimethoxyphenyl)-2-imidazol-1-yl-ethyl]sulfanylbenzoic acid Openeye Name: 4-[1-(2,6-dimethoxyphenyl)-2-imidazol-1-yl-ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-(2,6-dimethoxyphenyl)-2-(1-imidazolyl)ethyl]thio]benzoic acid IUPAC Name: 4-[1-(2,6-dimethoxyphenyl)-2-imidazol-1-ylethyl]sulfanylbenzoic acid Traditional Name: 4-[[1-(2,6-dimethoxyphenyl)-2-imidazol-1-yl-ethyl]thio]benzoic acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H20N2O4S/c1-25-16-4-3-5-17(26-2)19(16)18(12-22-11-10-21-13-22)27-15-8-6-14(7-9-15)20(23)24/h3-11,13,18H,12H2,1-2H3,(H,23,24)