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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C)C1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H19ClN2O6S/c1-11(2)19-24-20(32-17-6-4-3-5-13(17)21(26)27)18(22(28)29)25(19)9-12-7-15-16(8-14(12)23)31-10-30-15/h3-8,11H,9-10H2,1-2H3,(H,26,27)(H,28,29)