S-[3-phenoxy-2-[2,2,2-tris(fluoranyl)ethanoylamino]propyl] ethanethioate

Systemtic Name: S-[3-phenoxy-2-[2,2,2-tris(fluoranyl)ethanoylamino]propyl] ethanethioate Openeye Name: S-[3-phenoxy-2-[(2,2,2-trifluoroacetyl)amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[3-phenoxy-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propyl] ester IUPAC Name: S-[3-phenoxy-2-[(2,2,2-trifluoroacetyl)amino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-phenoxy-2-[(2,2,2-trifluoroacetyl)amino]propyl] ester Formula: C13H14F3NO3S MolecularWeight: 321.31537

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(COC1=CC=CC=C1)NC(=O)C(F)(F)F

Isomeric SMILES

CC(=O)SCC(COC1=CC=CC=C1)NC(=O)C(F)(F)F

InChI

InChI=1S/C13H14F3NO3S/c1-9(18)21-8-10(17-12(19)13(14,15)16)7-20-11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3,(H,17,19)