methyl 3-[3-azanyl-1,1,1-tris(fluoranyl)propan-2-yl]sulfanylpropanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(CN)C(F)(F)F

Isomeric SMILES

COC(=O)CCSC(CN)C(F)(F)F

InChI

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