ethyl (2R)-3-sulfanyl-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbonylamino]propanoate

Systemtic Name: ethyl (2R)-3-sulfanyl-2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbonylamino]propanoate Openeye Name: ethyl (2R)-3-sulfanyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]propanoate CAS Name: (2R)-3-mercapto-2-[[oxo-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-sulfanyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]propanoate Traditional Name: (2R)-3-mercapto-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]propionic acid ethyl ester Formula: C10H12F3N3O3S MolecularWeight: 311.28079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=NNC(=C1)C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=NNC(=C1)C(F)(F)F

InChI

InChI=1S/C10H12F3N3O3S/c1-2-19-9(18)6(4-20)14-8(17)5-3-7(16-15-5)10(11,12)13/h3,6,20H,2,4H2,1H3,(H,14,17)(H,15,16)/t6-/m0/s1