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

Systemtic Name: 2-butyl-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-hydroxy-4-oxo-butyl)sulfanyl-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-hydroxy-4-oxobutyl)thio]-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-hydroxy-4-oxobutyl)sulfanylimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-hydroxy-4-keto-butyl)thio]imidazole-4-carboxylic acid Formula: C20H23ClN2O6S MolecularWeight: 454.92442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O6S/c1-2-3-5-16-22-19(30-7-4-6-17(24)25)18(20(26)27)23(16)10-12-8-14-15(9-13(12)21)29-11-28-14/h8-9H,2-7,10-11H2,1H3,(H,24,25)(H,26,27)