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

Systemtic Name: 2-butyl-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-methylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-methylsulfanyl-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(methylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-methylsulfanylimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(methylthio)imidazole-4-carboxylic acid Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O4S/c1-3-4-5-14-19-16(25-2)15(17(21)22)20(14)8-10-6-12-13(7-11(10)18)24-9-23-12/h6-7H,3-5,8-9H2,1-2H3,(H,21,22)