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

Systemtic Name: 2-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethylsulfanyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethylsulfanyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethylthio]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethylsulfanyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethylthio]-3H-benzimidazole-5-carboxylic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCSC2=NC3=C(N2)C=C(C=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCSC2=NC3=C(N2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C21H22N2O5S/c1-3-4-15-18(8-6-14(12(2)24)19(15)25)28-9-10-29-21-22-16-7-5-13(20(26)27)11-17(16)23-21/h5-8,11,25H,3-4,9-10H2,1-2H3,(H,22,23)(H,26,27)