3-[3-(3-acetyloxy-4-ethanoyl-2-propyl-phenoxy)propyl]-2-sulfanylidene-1H-benzimidazole-5-carboxylic acid

Systemtic Name: 3-[3-(3-acetyloxy-4-ethanoyl-2-propyl-phenoxy)propyl]-2-sulfanylidene-1H-benzimidazole-5-carboxylic acid Openeye Name: 3-[3-(3-acetoxy-4-acetyl-2-propyl-phenoxy)propyl]-2-thioxo-1H-benzimidazole-5-carboxylic acid CAS Name: 3-[3-(4-acetyl-3-acetyloxy-2-propylphenoxy)propyl]-2-sulfanylidene-1H-benzimidazole-5-carboxylic acid IUPAC Name: 3-[3-(4-acetyl-3-acetyloxy-2-propylphenoxy)propyl]-2-sulfanylidene-1H-benzimidazole-5-carboxylic acid Traditional Name: 3-[3-(3-acetoxy-4-acetyl-2-propyl-phenoxy)propyl]-2-thioxo-1H-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)OCCCN2C3=C(C=CC(=C3)C(=O)O)NC2=S

Isomeric SMILES

CCCC1=C(C=CC(=C1OC(=O)C)C(=O)C)OCCCN2C3=C(C=CC(=C3)C(=O)O)NC2=S

InChI

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