methyl 3-[(5-cyclopropyl-1,2-oxazol-4-yl)carbonyl]-2-methylsulfanyl-6-(trifluoromethyl)benzoate

Systemtic Name: methyl 3-[(5-cyclopropyl-1,2-oxazol-4-yl)carbonyl]-2-methylsulfanyl-6-(trifluoromethyl)benzoate Openeye Name: methyl 3-(5-cyclopropylisoxazole-4-carbonyl)-2-methylsulfanyl-6-(trifluoromethyl)benzoate CAS Name: 3-[(5-cyclopropyl-4-isoxazolyl)-oxomethyl]-2-(methylthio)-6-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-methylsulfanyl-6-(trifluoromethyl)benzoate Traditional Name: 3-(5-cyclopropylisoxazole-4-carbonyl)-2-(methylthio)-6-(trifluoromethyl)benzoic acid methyl ester Formula: C17H14F3NO4S MolecularWeight: 385.35757

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1SC)C(=O)C2=C(ON=C2)C3CC3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1SC)C(=O)C2=C(ON=C2)C3CC3)C(F)(F)F

InChI

InChI=1S/C17H14F3NO4S/c1-24-16(23)12-11(17(18,19)20)6-5-9(15(12)26-2)13(22)10-7-21-25-14(10)8-3-4-8/h5-8H,3-4H2,1-2H3