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

Systemtic Name: 2-butyl-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-imidazole-4-carboxylic acid CAS Name: 2-butyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanylimidazole-4-carboxylic acid Traditional Name: 2-butyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]imidazole-4-carboxylic acid Formula: C23H23ClN2O5S MolecularWeight: 474.95712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)SC4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)SC4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C23H23ClN2O5S/c1-3-4-5-20-25-21(23(27)28)22(32-16-8-6-15(29-2)7-9-16)26(20)12-14-10-18-19(11-17(14)24)31-13-30-18/h6-11H,3-5,12-13H2,1-2H3,(H,27,28)