methyl 2-[4-[[5-ethylsulfanyl-4-(hydroxymethyl)-2-methyl-imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[5-ethylsulfanyl-4-(hydroxymethyl)-2-methyl-imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[5-ethylsulfanyl-4-(hydroxymethyl)-2-methyl-imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[5-(ethylthio)-4-(hydroxymethyl)-2-methyl-1-imidazolyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[5-ethylsulfanyl-4-(hydroxymethyl)-2-methylimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[5-(ethylthio)-2-methyl-4-methylol-imidazol-1-yl]methyl]phenyl]benzoic acid methyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C)CO

Isomeric SMILES

CCSC1=C(N=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C)CO

InChI

InChI=1S/C22H24N2O3S/c1-4-28-21-20(14-25)23-15(2)24(21)13-16-9-11-17(12-10-16)18-7-5-6-8-19(18)22(26)27-3/h5-12,25H,4,13-14H2,1-3H3