2-methylpropyl 2-[3-(1-methylbenzimidazol-2-yl)sulfanyl-2-oxidanyl-propoxy]benzoate

Systemtic Name: 2-methylpropyl 2-[3-(1-methylbenzimidazol-2-yl)sulfanyl-2-oxidanyl-propoxy]benzoate Openeye Name: isobutyl 2-[2-hydroxy-3-(1-methylbenzimidazol-2-yl)sulfanyl-propoxy]benzoate CAS Name: 2-[2-hydroxy-3-[(1-methyl-2-benzimidazolyl)thio]propoxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[2-hydroxy-3-(1-methylbenzimidazol-2-yl)sulfanylpropoxy]benzoate Traditional Name: 2-[2-hydroxy-3-[(1-methylbenzimidazol-2-yl)thio]propoxy]benzoic acid isobutyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=CC=C1OCC(CSC2=NC3=CC=CC=C3N2C)O

Isomeric SMILES

CC(C)COC(=O)C1=CC=CC=C1OCC(CSC2=NC3=CC=CC=C3N2C)O

InChI

InChI=1S/C22H26N2O4S/c1-15(2)12-28-21(26)17-8-4-7-11-20(17)27-13-16(25)14-29-22-23-18-9-5-6-10-19(18)24(22)3/h4-11,15-16,25H,12-14H2,1-3H3