N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[(2R)-5-methyl-7-(2-methyl-6-quinolyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[(2R)-5-methyl-7-(2-methyl-6-quinolinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[(2R)-5-methyl-7-(2-methyl-6-quinolyl)coumaran-2-yl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)C3=CC(=CC4=C3OC(C4)CNC(=O)CSC5=NC=CC=N5)C

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)C3=CC(=CC4=C3O[C@H](C4)CNC(=O)CSC5=NC=CC=N5)C

InChI

InChI=1S/C26H24N4O2S/c1-16-10-20-13-21(14-29-24(31)15-33-26-27-8-3-9-28-26)32-25(20)22(11-16)18-6-7-23-19(12-18)5-4-17(2)30-23/h3-12,21H,13-15H2,1-2H3,(H,29,31)/t21-/m1/s1