4-[(E)-2-(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one

Systemtic Name: 4-[(E)-2-(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one Openeye Name: 4-[(E)-2-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one CAS Name: 4-[(E)-2-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one IUPAC Name: 4-[(E)-2-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one Traditional Name: 4-[(E)-2-(2-keto-7-methoxy-1,3-benzoxathiol-5-yl)vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one Formula: C15H9F3N2O4S MolecularWeight: 370.30317

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)C=CC3=NC(=O)NC(=C3)C(F)(F)F)SC(=O)O2

Isomeric SMILES

COC1=C2C(=CC(=C1)/C=C/C3=NC(=O)NC(=C3)C(F)(F)F)SC(=O)O2

InChI

InChI=1S/C15H9F3N2O4S/c1-23-9-4-7(5-10-12(9)24-14(22)25-10)2-3-8-6-11(15(16,17)18)20-13(21)19-8/h2-6H,1H3,(H,19,20,21)/b3-2+