4-cyclopropylcarbonyl-5-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylate

Systemtic Name: 4-cyclopropylcarbonyl-5-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylate Openeye Name: 4-(cyclopropanecarbonyl)-5-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]isoxazole-3-carboxylate CAS Name: 4-[cyclopropyl(oxo)methyl]-5-[2-(methylthio)-4-(trifluoromethyl)phenyl]-3-isoxazolecarboxylate IUPAC Name: 4-(cyclopropanecarbonyl)-5-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylate Traditional Name: 4-(cyclopropanecarbonyl)-5-[2-(methylthio)-4-(trifluoromethyl)phenyl]isoxazole-3-carboxylate Formula: C16H11F3NO4S- MolecularWeight: 370.32305

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)C(F)(F)F)C2=C(C(=NO2)C(=O)[O-])C(=O)C3CC3

Isomeric SMILES

CSC1=C(C=CC(=C1)C(F)(F)F)C2=C(C(=NO2)C(=O)[O-])C(=O)C3CC3

InChI

InChI=1S/C16H12F3NO4S/c1-25-10-6-8(16(17,18)19)4-5-9(10)14-11(13(21)7-2-3-7)12(15(22)23)20-24-14/h4-7H,2-3H2,1H3,(H,22,23)/p-1