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

Systemtic Name: ethyl (2R)-2-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[2-[3-methyl-5-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propionic acid ethyl ester Formula: C12H16F3N3O3S MolecularWeight: 339.33395

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)CN1C(=CC(=N1)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)CN1C(=CC(=N1)C)C(F)(F)F

InChI

InChI=1S/C12H16F3N3O3S/c1-3-21-11(20)8(6-22)16-10(19)5-18-9(12(13,14)15)4-7(2)17-18/h4,8,22H,3,5-6H2,1-2H3,(H,16,19)/t8-/m0/s1