methyl 4-[1-(2-hydroxyphenyl)-2-imidazol-1-yl-ethyl]sulfanylbenzoate

Systemtic Name: methyl 4-[1-(2-hydroxyphenyl)-2-imidazol-1-yl-ethyl]sulfanylbenzoate Openeye Name: methyl 4-[1-(2-hydroxyphenyl)-2-imidazol-1-yl-ethyl]sulfanylbenzoate CAS Name: 4-[[1-(2-hydroxyphenyl)-2-(1-imidazolyl)ethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(2-hydroxyphenyl)-2-imidazol-1-ylethyl]sulfanylbenzoate Traditional Name: 4-[[1-(2-hydroxyphenyl)-2-imidazol-1-yl-ethyl]thio]benzoic acid methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SC(CN2C=CN=C2)C3=CC=CC=C3O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SC(CN2C=CN=C2)C3=CC=CC=C3O

InChI

InChI=1S/C19H18N2O3S/c1-24-19(23)14-6-8-15(9-7-14)25-18(12-21-11-10-20-13-21)16-4-2-3-5-17(16)22/h2-11,13,18,22H,12H2,1H3