3-[[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[[2-(7-chloro-2-quinolyl)benzofuran-5-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[2-(7-chloro-2-quinolinyl)-5-benzofuranyl]methylthio]propanoic acid IUPAC Name: 3-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[[2-(7-chloro-2-quinolyl)benzofuran-5-yl]methylthio]propionic acid Formula: C21H16ClNO3S MolecularWeight: 397.87464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=N2)C3=CC4=C(O3)C=CC(=C4)CSCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=N2)C3=CC4=C(O3)C=CC(=C4)CSCCC(=O)O)Cl

InChI

InChI=1S/C21H16ClNO3S/c22-16-4-2-14-3-5-17(23-18(14)11-16)20-10-15-9-13(1-6-19(15)26-20)12-27-8-7-21(24)25/h1-6,9-11H,7-8,12H2,(H,24,25)