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

Systemtic Name: 2-[3-(3-acetyloxy-4-ethanoyl-2-propyl-phenoxy)propylsulfanyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[3-(3-acetoxy-4-acetyl-2-propyl-phenoxy)propylsulfanyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[3-(4-acetyl-3-acetyloxy-2-propylphenoxy)propylthio]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[3-(4-acetyl-3-acetyloxy-2-propylphenoxy)propylsulfanyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[3-(3-acetoxy-4-acetyl-2-propyl-phenoxy)propylthio]-3H-benzimidazole-5-carboxylic acid Formula: C24H26N2O6S MolecularWeight: 470.53804

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC(=O)C)C(=O)C)OCCCSC2=NC3=C(N2)C=C(C=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1OC(=O)C)C(=O)C)OCCCSC2=NC3=C(N2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C24H26N2O6S/c1-4-6-18-21(10-8-17(14(2)27)22(18)32-15(3)28)31-11-5-12-33-24-25-19-9-7-16(23(29)30)13-20(19)26-24/h7-10,13H,4-6,11-12H2,1-3H3,(H,25,26)(H,29,30)