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

Systemtic Name: N-[[7-chloranyl-5-(5-ethanoylthiophen-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[5-(5-acetyl-2-thienyl)-7-chloro-2,3-dihydrobenzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[5-(5-acetyl-2-thiophenyl)-7-chloro-2,3-dihydrobenzofuran-2-yl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[5-(5-acetyl-2-thienyl)-7-chloro-coumaran-2-yl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C21H18ClN3O3S2 MolecularWeight: 459.96892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C2=CC3=C(C(=C2)Cl)OC(C3)CNC(=O)CSC4=NC=CC=N4

Isomeric SMILES

CC(=O)C1=CC=C(S1)C2=CC3=C(C(=C2)Cl)OC(C3)CNC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C21H18ClN3O3S2/c1-12(26)17-3-4-18(30-17)13-7-14-8-15(28-20(14)16(22)9-13)10-25-19(27)11-29-21-23-5-2-6-24-21/h2-7,9,15H,8,10-11H2,1H3,(H,25,27)