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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-(trifluoromethyl)benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)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 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C15H9F3N2O3S MolecularWeight: 354.30377

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9F3N2O3S/c16-15(17,18)9-3-1-2-8(6-9)14(22)23-7-11-19-10-4-5-24-12(10)13(21)20-11/h1-6H,7H2,(H,19,20,21)