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

Systemtic Name: 2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-3H-benzimidazole-5-carboxylic acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=NC3=C(N2)C=C(C=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=NC3=C(N2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C22H24N2O5S/c1-3-5-16-19(9-7-15(13(2)25)20(16)26)29-10-4-11-30-22-23-17-8-6-14(21(27)28)12-18(17)24-22/h6-9,12,26H,3-5,10-11H2,1-2H3,(H,23,24)(H,27,28)