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

Systemtic Name: 2-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butylsulfanyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylsulfanyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylthio]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylsulfanyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylthio]-3H-benzimidazole-5-carboxylic acid Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCSC2=NC3=C(N2)C=C(C=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCSC2=NC3=C(N2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C23H26N2O5S/c1-3-6-17-20(10-8-16(14(2)26)21(17)27)30-11-4-5-12-31-23-24-18-9-7-15(22(28)29)13-19(18)25-23/h7-10,13,27H,3-6,11-12H2,1-2H3,(H,24,25)(H,28,29)