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

Systemtic Name: ethyl 2-butyl-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-5-phenylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-5-phenylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-5-(phenylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-5-phenylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(2-carbomethoxyphenyl)benzyl]-5-(phenylthio)imidazole-4-carboxylic acid ethyl ester Formula: C31H32N2O4S MolecularWeight: 528.66178

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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)SC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C(=O)OCC)SC4=CC=CC=C4

InChI

InChI=1S/C31H32N2O4S/c1-4-6-16-27-32-29(38-24-12-8-7-9-13-24)28(31(35)37-5-2)33(27)21-22-17-19-23(20-18-22)25-14-10-11-15-26(25)30(34)36-3/h7-15,17-20H,4-6,16,21H2,1-3H3