N-[[(2R)-5-fluoranyl-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[[(2R)-5-fluoranyl-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[[(2R)-5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-(2-thienyl)butanamide CAS Name: N-[[(2R)-5-fluoro-7-(6-methoxy-3-pyridazinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[[(2R)-5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[[(2R)-5-fluoro-7-(6-methoxypyridazin-3-yl)coumaran-2-yl]methyl]-4-(2-thienyl)butyramide Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)C2=CC(=CC3=C2OC(C3)CNC(=O)CCCC4=CC=CS4)F

Isomeric SMILES

COC1=NN=C(C=C1)C2=CC(=CC3=C2O[C@H](C3)CNC(=O)CCCC4=CC=CS4)F

InChI

InChI=1S/C22H22FN3O3S/c1-28-21-8-7-19(25-26-21)18-12-15(23)10-14-11-16(29-22(14)18)13-24-20(27)6-2-4-17-5-3-9-30-17/h3,5,7-10,12,16H,2,4,6,11,13H2,1H3,(H,24,27)/t16-/m1/s1