2-methylpropyl 4-[[4-(2-oxidanylpropylsulfanyl)-1H-benzimidazol-2-yl]oxy]benzoate

Systemtic Name: 2-methylpropyl 4-[[4-(2-oxidanylpropylsulfanyl)-1H-benzimidazol-2-yl]oxy]benzoate Openeye Name: isobutyl 4-[[4-(2-hydroxypropylsulfanyl)-1H-benzimidazol-2-yl]oxy]benzoate CAS Name: 4-[[4-(2-hydroxypropylthio)-1H-benzimidazol-2-yl]oxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[4-(2-hydroxypropylsulfanyl)-1H-benzimidazol-2-yl]oxy]benzoate Traditional Name: 4-[[4-(2-hydroxypropylthio)-1H-benzimidazol-2-yl]oxy]benzoic acid isobutyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)OC2=NC3=C(N2)C=CC=C3SCC(C)O

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)OC2=NC3=C(N2)C=CC=C3SCC(C)O

InChI

InChI=1S/C21H24N2O4S/c1-13(2)11-26-20(25)15-7-9-16(10-8-15)27-21-22-17-5-4-6-18(19(17)23-21)28-12-14(3)24/h4-10,13-14,24H,11-12H2,1-3H3,(H,22,23)