ethyl (2R)-2-[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propionic acid ethyl ester Formula: C12H15F3N4O5S MolecularWeight: 384.33151

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)CN1C(=C(C(=N1)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)CN1C(=C(C(=N1)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C12H15F3N4O5S/c1-3-24-11(21)7(5-25)16-8(20)4-18-6(2)9(19(22)23)10(17-18)12(13,14)15/h7,25H,3-5H2,1-2H3,(H,16,20)/t7-/m0/s1