ethyl 2-butyl-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: ethyl 2-butyl-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(2-carbomethoxyphenyl)benzyl]-5-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C(=O)OCC)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C(=O)OCC)SC

InChI

InChI=1S/C26H30N2O4S/c1-5-7-12-22-27-24(33-4)23(26(30)32-6-2)28(22)17-18-13-15-19(16-14-18)20-10-8-9-11-21(20)25(29)31-3/h8-11,13-16H,5-7,12,17H2,1-4H3