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

Systemtic Name: ethyl (2R)-2-[2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C14H17BrF3N3O3S MolecularWeight: 444.26729

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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)C2CC2

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)CN1C(=C(C(=N1)C(F)(F)F)Br)C2CC2

InChI

InChI=1S/C14H17BrF3N3O3S/c1-2-24-13(23)8(6-25)19-9(22)5-21-11(7-3-4-7)10(15)12(20-21)14(16,17)18/h7-8,25H,2-6H2,1H3,(H,19,22)/t8-/m0/s1