(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(trifluoromethyloxy)benzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(trifluoromethyloxy)benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)benzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C15H9F3N2O4S MolecularWeight: 370.30317

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)OC(F)(F)F

InChI

InChI=1S/C15H9F3N2O4S/c16-15(17,18)24-9-3-1-8(2-4-9)14(22)23-7-11-19-10-5-6-25-12(10)13(21)20-11/h1-6H,7H2,(H,19,20,21)