(3,3-dimethyl-2-oxidanylidene-butyl) 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]acetic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]acetic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H23ClN2O3S MolecularWeight: 430.94762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl

InChI

InChI=1S/C22H23ClN2O3S/c1-22(2,3)19(26)13-28-20(27)14-29-21-24-17-11-16(23)9-10-18(17)25(21)12-15-7-5-4-6-8-15/h4-11H,12-14H2,1-3H3