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

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethoxyphenyl)sulfanyl-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethoxyphenyl)sulfanyl-2-propyl-imidazole-4-carboxylic acid CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(3,4-dimethoxyphenyl)thio]-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(3,4-dimethoxyphenyl)sulfanyl-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(3,4-dimethoxyphenyl)thio]-2-propyl-imidazole-4-carboxylic acid Formula: C23H23ClN2O6S MolecularWeight: 490.95652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H23ClN2O6S/c1-4-5-20-25-22(33-14-6-7-16(29-2)17(9-14)30-3)21(23(27)28)26(20)11-13-8-18-19(10-15(13)24)32-12-31-18/h6-10H,4-5,11-12H2,1-3H3,(H,27,28)