S-[3,3,3-tris(fluoranyl)-2-(2-pyridin-4-ylethylcarbamoyl)propyl] ethanethioate

Systemtic Name: S-[3,3,3-tris(fluoranyl)-2-(2-pyridin-4-ylethylcarbamoyl)propyl] ethanethioate Openeye Name: S-[3,3,3-trifluoro-2-[2-(4-pyridyl)ethylcarbamoyl]propyl] ethanethioate CAS Name: ethanethioic acid S-[3,3,3-trifluoro-2-[oxo-(2-pyridin-4-ylethylamino)methyl]propyl] ester IUPAC Name: S-[3,3,3-trifluoro-2-(2-pyridin-4-ylethylcarbamoyl)propyl] ethanethioate Traditional Name: ethanethioic acid S-[3,3,3-trifluoro-2-[2-(4-pyridyl)ethylcarbamoyl]propyl] ester Formula: C13H15F3N2O2S MolecularWeight: 320.33061

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C(=O)NCCC1=CC=NC=C1)C(F)(F)F

Isomeric SMILES

CC(=O)SCC(C(=O)NCCC1=CC=NC=C1)C(F)(F)F

InChI

InChI=1S/C13H15F3N2O2S/c1-9(19)21-8-11(13(14,15)16)12(20)18-7-4-10-2-5-17-6-3-10/h2-3,5-6,11H,4,7-8H2,1H3,(H,18,20)