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

Systemtic Name: ethyl (2R)-2-[3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-mercapto-propionic acid ethyl ester Formula: C15H19BrF3N3O3S MolecularWeight: 458.29387

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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)C2CC2

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)CCN1C(=C(C(=N1)C(F)(F)F)Br)C2CC2

InChI

InChI=1S/C15H19BrF3N3O3S/c1-2-25-14(24)9(7-26)20-10(23)5-6-22-12(8-3-4-8)11(16)13(21-22)15(17,18)19/h8-9,26H,2-7H2,1H3,(H,20,23)/t9-/m0/s1