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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N=CN(C)C)C(=O)OC(C)CC)SC

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)/N=C/N(C)C)C(=O)OC(C)CC)SC

InChI

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