ethyl 5-(4-acetyloxybutylsulfanyl)-2-butyl-1-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]imidazole-4-carboxylate

Systemtic Name: ethyl 5-(4-acetyloxybutylsulfanyl)-2-butyl-1-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 5-(4-acetoxybutylsulfanyl)-2-butyl-1-[[4-[2-[(E)-dimethylaminomethyleneamino]sulfonylphenyl]phenyl]methyl]imidazole-4-carboxylate CAS Name: 5-(4-acetyloxybutylthio)-2-butyl-1-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-acetyloxybutylsulfanyl)-2-butyl-1-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]imidazole-4-carboxylate Traditional Name: 5-(4-acetoxybutylthio)-2-butyl-1-[4-[2-[(E)-dimethylaminomethyleneamino]sulfonylphenyl]benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C32H42N4O6S2 MolecularWeight: 642.82908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N=CN(C)C)SCCCCOC(=O)C)C(=O)OCC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)/N=C/N(C)C)SCCCCOC(=O)C)C(=O)OCC

InChI

InChI=1S/C32H42N4O6S2/c1-6-8-15-29-34-30(32(38)41-7-2)31(43-21-12-11-20-42-24(3)37)36(29)22-25-16-18-26(19-17-25)27-13-9-10-14-28(27)44(39,40)33-23-35(4)5/h9-10,13-14,16-19,23H,6-8,11-12,15,20-22H2,1-5H3/b33-23+