ethyl 3-[[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C27H21F3N2O3S MolecularWeight: 510.52745

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)C(F)(F)F

InChI

InChI=1S/C27H21F3N2O3S/c1-2-34-25(33)24-20(19-10-6-7-11-23(19)35-24)16-36-26-31-21-14-18(27(28,29)30)12-13-22(21)32(26)15-17-8-4-3-5-9-17/h3-14H,2,15-16H2,1H3