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

Systemtic Name: ethyl 2-butyl-3-[[4-[5-[(E)-dimethylaminomethylideneamino]sulfonyl-2-methyl-phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[[4-[5-[(E)-dimethylaminomethyleneamino]sulfonyl-2-methyl-phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-[5-[(E)-dimethylaminomethylideneamino]sulfonyl-2-methylphenyl]phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[[4-[5-[(E)-dimethylaminomethylideneamino]sulfonyl-2-methylphenyl]phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-[5-[(E)-dimethylaminomethyleneamino]sulfonyl-2-methyl-phenyl]benzyl]-5-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C28H36N4O4S2 MolecularWeight: 556.73984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O4S2/c1-7-9-10-25-30-27(37-6)26(28(33)36-8-2)32(25)18-21-12-14-22(15-13-21)24-17-23(16-11-20(24)3)38(34,35)29-19-31(4)5/h11-17,19H,7-10,18H2,1-6H3/b29-19+