2-butyl-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-oxidanylbutylsulfanyl)imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-oxidanylbutylsulfanyl)imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-hydroxybutylsulfanyl)imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-hydroxybutylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-hydroxybutylsulfanyl)imidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-hydroxybutylthio)imidazole-4-carboxylic acid Formula: C20H25ClN2O5S MolecularWeight: 440.9409

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SCCCCO

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SCCCCO

InChI

InChI=1S/C20H25ClN2O5S/c1-2-3-6-17-22-19(29-8-5-4-7-24)18(20(25)26)23(17)11-13-9-15-16(10-14(13)21)28-12-27-15/h9-10,24H,2-8,11-12H2,1H3,(H,25,26)