2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]sulfanyl-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]sulfanyl-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]sulfanyl-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]thio]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]sulfanyl-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]thio]-3H-benzimidazole-5-carboxylic acid Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CSC2=NC3=C(N2)C=C(C=C3)C(=O)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CSC2=NC3=C(N2)C=C(C=C3)C(=O)O)O

InChI

InChI=1S/C22H24N2O6S/c1-3-4-16-19(8-6-15(12(2)25)20(16)27)30-10-14(26)11-31-22-23-17-7-5-13(21(28)29)9-18(17)24-22/h5-9,14,26-27H,3-4,10-11H2,1-2H3,(H,23,24)(H,28,29)