2-methylpropyl 4-[3-(1H-benzimidazol-2-ylsulfanyl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: 2-methylpropyl 4-[3-(1H-benzimidazol-2-ylsulfanyl)-2-oxidanyl-propoxy]benzoate Openeye Name: isobutyl 4-[3-(1H-benzimidazol-2-ylsulfanyl)-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-(1H-benzimidazol-2-ylthio)-2-hydroxypropoxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[3-(1H-benzimidazol-2-ylsulfanyl)-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-(1H-benzimidazol-2-ylthio)-2-hydroxy-propoxy]benzoic acid isobutyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)OCC(CSC2=NC3=CC=CC=C3N2)O

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)OCC(CSC2=NC3=CC=CC=C3N2)O

InChI

InChI=1S/C21H24N2O4S/c1-14(2)11-27-20(25)15-7-9-17(10-8-15)26-12-16(24)13-28-21-22-18-5-3-4-6-19(18)23-21/h3-10,14,16,24H,11-13H2,1-2H3,(H,22,23)