(E)-N-[[5-fluoranyl-7-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[[5-fluoranyl-7-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[[5-fluoro-7-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[[5-fluoro-7-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[[5-fluoro-7-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[[5-fluoro-7-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]-3-(2-thienyl)acrylamide Formula: C21H18FN3O2S2 MolecularWeight: 427.514923

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C2=CC(=CC3=C2OC(C3)CNC(=O)C=CC4=CC=CS4)F

Isomeric SMILES

CSC1=NC=CC(=N1)C2=CC(=CC3=C2OC(C3)CNC(=O)/C=C/C4=CC=CS4)F

InChI

InChI=1S/C21H18FN3O2S2/c1-28-21-23-7-6-18(25-21)17-11-14(22)9-13-10-15(27-20(13)17)12-24-19(26)5-4-16-3-2-8-29-16/h2-9,11,15H,10,12H2,1H3,(H,24,26)/b5-4+