(2R)-3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (2R)-3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (2R)-2-(tert-butoxycarbonylamino)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanoate CAS Name: (2R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoate IUPAC Name: (2R)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]propionate Formula: C14H15ClF3N2O4S- MolecularWeight: 399.79311

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CSC1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)[O-]

InChI

InChI=1S/C14H16ClF3N2O4S/c1-13(2,3)24-12(23)20-9(11(21)22)6-25-10-8(15)4-7(5-19-10)14(16,17)18/h4-5,9H,6H2,1-3H3,(H,20,23)(H,21,22)/p-1/t9-/m0/s1