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

Systemtic Name: ethyl 4-cyclopropylcarbonyl-5-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylate Openeye Name: ethyl 4-(cyclopropanecarbonyl)-5-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]isoxazole-3-carboxylate CAS Name: 4-[cyclopropyl(oxo)methyl]-5-[2-(methylthio)-4-(trifluoromethyl)phenyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 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-carboxylic acid ethyl ester Formula: C18H16F3NO4S MolecularWeight: 399.38415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1C(=O)C2CC2)C3=C(C=C(C=C3)C(F)(F)F)SC

Isomeric SMILES

CCOC(=O)C1=NOC(=C1C(=O)C2CC2)C3=C(C=C(C=C3)C(F)(F)F)SC

InChI

InChI=1S/C18H16F3NO4S/c1-3-25-17(24)14-13(15(23)9-4-5-9)16(26-22-14)11-7-6-10(18(19,20)21)8-12(11)27-2/h6-9H,3-5H2,1-2H3