methyl 4-[1-(2,6-dimethoxyphenyl)-2-imidazol-1-yl-ethyl]sulfanylbenzoate

Systemtic Name: methyl 4-[1-(2,6-dimethoxyphenyl)-2-imidazol-1-yl-ethyl]sulfanylbenzoate Openeye Name: methyl 4-[1-(2,6-dimethoxyphenyl)-2-imidazol-1-yl-ethyl]sulfanylbenzoate CAS Name: 4-[[1-(2,6-dimethoxyphenyl)-2-(1-imidazolyl)ethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(2,6-dimethoxyphenyl)-2-imidazol-1-ylethyl]sulfanylbenzoate Traditional Name: 4-[[1-(2,6-dimethoxyphenyl)-2-imidazol-1-yl-ethyl]thio]benzoic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-25-17-5-4-6-18(26-2)20(17)19(13-23-12-11-22-14-23)28-16-9-7-15(8-10-16)21(24)27-3/h4-12,14,19H,13H2,1-3H3