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

Systemtic Name: ethyl (2R)-2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[2-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]propionic acid ethyl ester Formula: C13H18F3N3O3S MolecularWeight: 353.36053

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C(C)N1C(=CC(=N1)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C(C)N1C(=CC(=N1)C(F)(F)F)C

InChI

InChI=1S/C13H18F3N3O3S/c1-4-22-12(21)9(6-23)17-11(20)8(3)19-7(2)5-10(18-19)13(14,15)16/h5,8-9,23H,4,6H2,1-3H3,(H,17,20)/t8?,9-/m0/s1