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

Systemtic Name: ethyl (2R)-2-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-mercapto-propionic acid ethyl ester Formula: C13H17BrF3N3O3S MolecularWeight: 432.25659

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)CCN1C(=C(C(=N1)C(F)(F)F)Br)C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)CCN1C(=C(C(=N1)C(F)(F)F)Br)C

InChI

InChI=1S/C13H17BrF3N3O3S/c1-3-23-12(22)8(6-24)18-9(21)4-5-20-7(2)10(14)11(19-20)13(15,16)17/h8,24H,3-6H2,1-2H3,(H,18,21)/t8-/m0/s1