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

Systemtic Name: ethyl 2-butyl-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-5-(phenylmethylsulfanyl)imidazole-4-carboxylate Openeye Name: ethyl 5-benzylsulfanyl-2-butyl-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-5-(phenylmethylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzylsulfanyl-2-butyl-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]imidazole-4-carboxylate Traditional Name: 5-(benzylthio)-2-butyl-3-[4-(2-carbomethoxyphenyl)benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C32H34N2O4S MolecularWeight: 542.68836

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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)SCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C(=O)OCC)SCC4=CC=CC=C4

InChI

InChI=1S/C32H34N2O4S/c1-4-6-16-28-33-30(39-22-24-12-8-7-9-13-24)29(32(36)38-5-2)34(28)21-23-17-19-25(20-18-23)26-14-10-11-15-27(26)31(35)37-3/h7-15,17-20H,4-6,16,21-22H2,1-3H3