(3E)-3-[(4-chloranyl-3-fluoranyl-phenyl)methylidene]-1-methyl-2-oxidanylidene-6-(3-phenylprop-1-ynyl)-2$l^{4},1-benzothiazin-4-one

Systemtic Name: (3E)-3-[(4-chloranyl-3-fluoranyl-phenyl)methylidene]-1-methyl-2-oxidanylidene-6-(3-phenylprop-1-ynyl)-2$l^{4},1-benzothiazin-4-one Openeye Name: (3E)-3-[(4-chloro-3-fluoro-phenyl)methylene]-1-methyl-2-oxo-6-(3-phenylprop-1-ynyl)-2$l^{4},1-benzothiazin-4-one CAS Name: (3E)-3-[(4-chloro-3-fluorophenyl)methylidene]-1-methyl-2-oxo-6-(3-phenylprop-1-ynyl)-2$l^{4},1-benzothiazin-4-one IUPAC Name: (3E)-3-[(4-chloro-3-fluorophenyl)methylidene]-1-methyl-2-oxo-6-(3-phenylprop-1-ynyl)-2$l^{4},1-benzothiazin-4-one Traditional Name: (3E)-3-(4-chloro-3-fluoro-benzylidene)-2-keto-1-methyl-6-(3-phenylprop-1-ynyl)-2$l^{4},1-benzothiazin-4-one Formula: C25H17ClFNO2S MolecularWeight: 449.924383

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C#CCC3=CC=CC=C3)C(=O)C(=CC4=CC(=C(C=C4)Cl)F)S1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)C#CCC3=CC=CC=C3)C(=O)/C(=C\C4=CC(=C(C=C4)Cl)F)/S1=O

InChI

InChI=1S/C25H17ClFNO2S/c1-28-23-13-11-18(9-5-8-17-6-3-2-4-7-17)14-20(23)25(29)24(31(28)30)16-19-10-12-21(26)22(27)15-19/h2-4,6-7,10-16H,8H2,1H3/b24-16+