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

Systemtic Name: ethyl (2R)-2-[2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C12H15BrF3N3O3S MolecularWeight: 418.23001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrF3N3O3S/c1-3-22-11(21)7(5-23)17-8(20)4-19-6(2)9(13)10(18-19)12(14,15)16/h7,23H,3-5H2,1-2H3,(H,17,20)/t7-/m0/s1