ethyl 2-[3-azanyl-1,1,1-tris(fluoranyl)propan-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-azanyl-1,1,1-tris(fluoranyl)propan-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[1-(aminomethyl)-2,2,2-trifluoro-ethyl]sulfanylacetate CAS Name: 2-[(3-amino-1,1,1-trifluoropropan-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanylacetate Traditional Name: 2-[[1-(aminomethyl)-2,2,2-trifluoro-ethyl]thio]acetic acid ethyl ester Formula: C7H12F3NO2S MolecularWeight: 231.23589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(CN)C(F)(F)F

Isomeric SMILES

CCOC(=O)CSC(CN)C(F)(F)F

InChI

InChI=1S/C7H12F3NO2S/c1-2-13-6(12)4-14-5(3-11)7(8,9)10/h5H,2-4,11H2,1H3