methyl 4-[2-imidazol-1-yl-1-(3-methoxyphenyl)ethyl]sulfanylbenzoate

Systemtic Name: methyl 4-[2-imidazol-1-yl-1-(3-methoxyphenyl)ethyl]sulfanylbenzoate Openeye Name: methyl 4-[2-imidazol-1-yl-1-(3-methoxyphenyl)ethyl]sulfanylbenzoate CAS Name: 4-[[2-(1-imidazolyl)-1-(3-methoxyphenyl)ethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[2-imidazol-1-yl-1-(3-methoxyphenyl)ethyl]sulfanylbenzoate Traditional Name: 4-[[2-imidazol-1-yl-1-(3-methoxyphenyl)ethyl]thio]benzoic acid methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-24-17-5-3-4-16(12-17)19(13-22-11-10-21-14-22)26-18-8-6-15(7-9-18)20(23)25-2/h3-12,14,19H,13H2,1-2H3