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

Systemtic Name: 2-butyl-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]sulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(E)-3-hydroxy-3-oxo-prop-1-enyl]sulfanyl-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[[(E)-3-hydroxy-3-oxoprop-1-enyl]thio]-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(E)-3-hydroxy-3-oxoprop-1-enyl]sulfanylimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[[(E)-3-hydroxy-3-keto-prop-1-enyl]thio]imidazole-4-carboxylic acid Formula: C19H19ClN2O6S MolecularWeight: 438.88196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SC=CC(=O)O

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)S/C=C/C(=O)O

InChI

InChI=1S/C19H19ClN2O6S/c1-2-3-4-15-21-18(29-6-5-16(23)24)17(19(25)26)22(15)9-11-7-13-14(8-12(11)20)28-10-27-13/h5-8H,2-4,9-10H2,1H3,(H,23,24)(H,25,26)/b6-5+