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

Systemtic Name: ethyl 2-butyl-3-[[4-[3-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[[4-[3-[(E)-dimethylaminomethyleneamino]sulfonylphenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-[3-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[[4-[3-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-[3-[(E)-dimethylaminomethyleneamino]sulfonylphenyl]benzyl]-5-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C27H34N4O4S2 MolecularWeight: 542.71326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)N=CN(C)C)C(=O)OCC)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)/N=C/N(C)C)C(=O)OCC)SC

InChI

InChI=1S/C27H34N4O4S2/c1-6-8-12-24-29-26(36-5)25(27(32)35-7-2)31(24)18-20-13-15-21(16-14-20)22-10-9-11-23(17-22)37(33,34)28-19-30(3)4/h9-11,13-17,19H,6-8,12,18H2,1-5H3/b28-19+