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

Systemtic Name: N-[(7-chloranyl-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[7-chloro-5-(3-thienyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[7-chloro-5-(3-thiophenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[7-chloro-5-(3-thienyl)coumaran-2-yl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C19H16ClN3O2S2 MolecularWeight: 417.93224

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2Cl)C3=CSC=C3)CNC(=O)CSC4=NC=CC=N4

Isomeric SMILES

C1C(OC2=C1C=C(C=C2Cl)C3=CSC=C3)CNC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C19H16ClN3O2S2/c20-16-8-13(12-2-5-26-10-12)6-14-7-15(25-18(14)16)9-23-17(24)11-27-19-21-3-1-4-22-19/h1-6,8,10,15H,7,9,11H2,(H,23,24)