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

Systemtic Name: ethyl 2-butyl-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-5-(phenylsulfinyl)imidazole-4-carboxylate Openeye Name: ethyl 5-(benzenesulfinyl)-2-butyl-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]imidazole-4-carboxylate CAS Name: 5-(benzenesulfinyl)-2-butyl-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzenesulfinyl)-2-butyl-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]imidazole-4-carboxylate Traditional Name: 5-(benzenesulfinyl)-2-butyl-3-[4-(2-carbomethoxyphenyl)benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C31H32N2O5S MolecularWeight: 544.66118

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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)S(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C31H32N2O5S/c1-4-6-16-27-32-29(39(36)24-12-8-7-9-13-24)28(31(35)38-5-2)33(27)21-22-17-19-23(20-18-22)25-14-10-11-15-26(25)30(34)37-3/h7-15,17-20H,4-6,16,21H2,1-3H3