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

Systemtic Name: ethyl (2R)-2-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[2-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-mercapto-propionic acid ethyl ester Formula: C15H20F3N3O3S MolecularWeight: 379.39781

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C(C)N1C(=CC(=N1)C(F)(F)F)C2CC2

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C(C)N1C(=CC(=N1)C(F)(F)F)C2CC2

InChI

InChI=1S/C15H20F3N3O3S/c1-3-24-14(23)10(7-25)19-13(22)8(2)21-11(9-4-5-9)6-12(20-21)15(16,17)18/h6,8-10,25H,3-5,7H2,1-2H3,(H,19,22)/t8?,10-/m0/s1