thietan-3-yl 2-chloranyl-4-fluoranyl-5-[2-methoxy-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]benzoate

Systemtic Name: thietan-3-yl 2-chloranyl-4-fluoranyl-5-[2-methoxy-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]benzoate Openeye Name: thietan-3-yl 2-chloro-4-fluoro-5-[2-methoxy-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate CAS Name: 2-chloro-4-fluoro-5-[2-methoxy-6-oxo-4-(trifluoromethyl)-1-pyrimidinyl]benzoic acid 3-thietanyl ester IUPAC Name: thietan-3-yl 2-chloro-4-fluoro-5-[2-methoxy-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate Traditional Name: 2-chloro-4-fluoro-5-[6-keto-2-methoxy-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid thietan-3-yl ester Formula: C16H11ClF4N2O4S MolecularWeight: 438.781153

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=CC(=O)N1C2=C(C=C(C(=C2)C(=O)OC3CSC3)Cl)F)C(F)(F)F

Isomeric SMILES

COC1=NC(=CC(=O)N1C2=C(C=C(C(=C2)C(=O)OC3CSC3)Cl)F)C(F)(F)F

InChI

InChI=1S/C16H11ClF4N2O4S/c1-26-15-22-12(16(19,20)21)4-13(24)23(15)11-2-8(9(17)3-10(11)18)14(25)27-7-5-28-6-7/h2-4,7H,5-6H2,1H3