N-[[7-chloranyl-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[7-chloranyl-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[7-chloro-5-(2,5-dimethoxyphenyl)coumaran-2-yl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C23H22ClN3O4S MolecularWeight: 471.95648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC3=C(C(=C2)Cl)OC(C3)CNC(=O)CSC4=NC=CC=N4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC3=C(C(=C2)Cl)OC(C3)CNC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C23H22ClN3O4S/c1-29-16-4-5-20(30-2)18(11-16)14-8-15-9-17(31-22(15)19(24)10-14)12-27-21(28)13-32-23-25-6-3-7-26-23/h3-8,10-11,17H,9,12-13H2,1-2H3,(H,27,28)