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

Systemtic Name: ethyl 5-(3-acetyloxypropylsulfanyl)-2-butyl-3-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 5-(3-acetoxypropylsulfanyl)-2-butyl-3-[[4-[2-[(E)-dimethylaminomethyleneamino]sulfonylphenyl]phenyl]methyl]imidazole-4-carboxylate CAS Name: 5-(3-acetyloxypropylthio)-2-butyl-3-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-acetyloxypropylsulfanyl)-2-butyl-3-[[4-[2-[(E)-dimethylaminomethylideneamino]sulfonylphenyl]phenyl]methyl]imidazole-4-carboxylate Traditional Name: 5-(3-acetoxypropylthio)-2-butyl-3-[4-[2-[(E)-dimethylaminomethyleneamino]sulfonylphenyl]benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C31H40N4O6S2 MolecularWeight: 628.8025

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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)C(=O)OCC)SCCCOC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C31H40N4O6S2/c1-6-8-14-28-33-30(42-20-11-19-41-23(3)36)29(31(37)40-7-2)35(28)21-24-15-17-25(18-16-24)26-12-9-10-13-27(26)43(38,39)32-22-34(4)5/h9-10,12-13,15-18,22H,6-8,11,14,19-21H2,1-5H3/b32-22+