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

Systemtic Name: 5-(4-carboxyphenyl)sulfanyl-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-propyl-imidazole-4-carboxylic acid Openeye Name: 5-(4-carboxyphenyl)sulfanyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-imidazole-4-carboxylic acid CAS Name: 5-[(4-carboxyphenyl)thio]-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 5-(4-carboxyphenyl)sulfanyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propylimidazole-4-carboxylic acid Traditional Name: 5-[(4-carboxyphenyl)thio]-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-imidazole-4-carboxylic acid Formula: C22H19ClN2O6S MolecularWeight: 474.91406

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O6S/c1-2-3-18-24-20(32-14-6-4-12(5-7-14)21(26)27)19(22(28)29)25(18)10-13-8-16-17(9-15(13)23)31-11-30-16/h4-9H,2-3,10-11H2,1H3,(H,26,27)(H,28,29)