methyl 5-(6-bromanylbenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate

Systemtic Name: methyl 5-(6-bromanylbenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate Openeye Name: methyl 5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate CAS Name: 5-(6-bromo-1-benzimidazolyl)-3-[[2-(trifluoromethyl)phenyl]methoxy]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate Traditional Name: 5-(6-bromobenzimidazol-1-yl)-3-[2-(trifluoromethyl)benzyl]oxy-thiophene-2-carboxylic acid methyl ester Formula: C21H14BrF3N2O3S MolecularWeight: 511.31167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)N2C=NC3=C2C=C(C=C3)Br)OCC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C=C(S1)N2C=NC3=C2C=C(C=C3)Br)OCC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H14BrF3N2O3S/c1-29-20(28)19-17(30-10-12-4-2-3-5-14(12)21(23,24)25)9-18(31-19)27-11-26-15-7-6-13(22)8-16(15)27/h2-9,11H,10H2,1H3