ethyl 4-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[[1-propyl-6-(trifluoromethyl)-2-benzimidazolyl]thio]ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C19H24F3N3O3S MolecularWeight: 431.47237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC(=O)NCCCC(=O)OCC

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC(=O)NCCCC(=O)OCC

InChI

InChI=1S/C19H24F3N3O3S/c1-3-10-25-15-11-13(19(20,21)22)7-8-14(15)24-18(25)29-12-16(26)23-9-5-6-17(27)28-4-2/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,23,26)