methyl 4-[2-imidazol-1-yl-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanylbenzoate

Systemtic Name: methyl 4-[2-imidazol-1-yl-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanylbenzoate Openeye Name: methyl 4-[2-imidazol-1-yl-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanylbenzoate CAS Name: 4-[[2-(1-imidazolyl)-1-(3,4,5-trimethoxyphenyl)ethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[2-imidazol-1-yl-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanylbenzoate Traditional Name: 4-[[2-imidazol-1-yl-1-(3,4,5-trimethoxyphenyl)ethyl]thio]benzoic acid methyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(CN2C=CN=C2)SC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H24N2O5S/c1-26-18-11-16(12-19(27-2)21(18)28-3)20(13-24-10-9-23-14-24)30-17-7-5-15(6-8-17)22(25)29-4/h5-12,14,20H,13H2,1-4H3