[3-(1H-benzimidazol-2-ylsulfanylmethyl)-6-tert-butyl-2,4-dimethyl-phenyl] ethanoate

Systemtic Name: [3-(1H-benzimidazol-2-ylsulfanylmethyl)-6-tert-butyl-2,4-dimethyl-phenyl] ethanoate Openeye Name: [3-(1H-benzimidazol-2-ylsulfanylmethyl)-6-tert-butyl-2,4-dimethyl-phenyl] acetate CAS Name: acetic acid [3-[(1H-benzimidazol-2-ylthio)methyl]-6-tert-butyl-2,4-dimethylphenyl] ester IUPAC Name: [3-(1H-benzimidazol-2-ylsulfanylmethyl)-6-tert-butyl-2,4-dimethylphenyl] acetate Traditional Name: acetic acid [3-[(1H-benzimidazol-2-ylthio)methyl]-6-tert-butyl-2,4-dimethyl-phenyl] ester Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CSC2=NC3=CC=CC=C3N2)C)OC(=O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1CSC2=NC3=CC=CC=C3N2)C)OC(=O)C)C(C)(C)C

InChI

InChI=1S/C22H26N2O2S/c1-13-11-17(22(4,5)6)20(26-15(3)25)14(2)16(13)12-27-21-23-18-9-7-8-10-19(18)24-21/h7-11H,12H2,1-6H3,(H,23,24)