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

Systemtic Name: ethyl (2R)-2-[[4-bromanyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[4-bromo-1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C11H13BrF3N3O3S MolecularWeight: 404.20343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=NN(C(=C1Br)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=NN(C(=C1Br)C(F)(F)F)C

InChI

InChI=1S/C11H13BrF3N3O3S/c1-3-21-10(20)5(4-22)16-9(19)7-6(12)8(11(13,14)15)18(2)17-7/h5,22H,3-4H2,1-2H3,(H,16,19)/t5-/m0/s1