methyl 2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[[1-propyl-6-(trifluoromethyl)-2-benzimidazolyl]thio]ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]thio]acetyl]amino]acetic acid methyl ester Formula: C16H18F3N3O3S MolecularWeight: 389.39263

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC(=O)NCC(=O)OC

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC(=O)NCC(=O)OC

InChI

InChI=1S/C16H18F3N3O3S/c1-3-6-22-12-7-10(16(17,18)19)4-5-11(12)21-15(22)26-9-13(23)20-8-14(24)25-2/h4-5,7H,3,6,8-9H2,1-2H3,(H,20,23)