ethyl 2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]sulfanyl-3H-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]sulfanyl-3H-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]sulfanyl-3H-benzimidazole-5-carboxylate CAS Name: 2-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]thio]-3H-benzimidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]sulfanyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]thio]-3H-benzimidazole-5-carboxylic acid ethyl ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CSC2=NC3=C(N2)C=C(C=C3)C(=O)OCC)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CSC2=NC3=C(N2)C=C(C=C3)C(=O)OCC)O

InChI

InChI=1S/C24H28N2O6S/c1-4-6-18-21(10-8-17(14(3)27)22(18)29)32-12-16(28)13-33-24-25-19-9-7-15(11-20(19)26-24)23(30)31-5-2/h7-11,16,28-29H,4-6,12-13H2,1-3H3,(H,25,26)