[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-propyl-2-benzimidazolyl)thio]acetic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-propylbenzimidazol-2-yl)thio]acetic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C16H18F3N3O3S MolecularWeight: 389.39263

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NCC(F)(F)F

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NCC(F)(F)F

InChI

InChI=1S/C16H18F3N3O3S/c1-2-7-22-12-6-4-3-5-11(12)21-15(22)26-9-14(24)25-8-13(23)20-10-16(17,18)19/h3-6H,2,7-10H2,1H3,(H,20,23)