methyl 3-[[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]methylsulfanyl]propanoate

Systemtic Name: methyl 3-[[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]methylsulfanyl]propanoate Openeye Name: methyl 3-[[2-(7-chloro-2-quinolyl)benzofuran-5-yl]methylsulfanyl]propanoate CAS Name: 3-[[2-(7-chloro-2-quinolinyl)-5-benzofuranyl]methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]methylsulfanyl]propanoate Traditional Name: 3-[[2-(7-chloro-2-quinolyl)benzofuran-5-yl]methylthio]propionic acid methyl ester Formula: C22H18ClNO3S MolecularWeight: 411.90122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=CC2=C(C=C1)OC(=C2)C3=NC4=C(C=CC(=C4)Cl)C=C3

Isomeric SMILES

COC(=O)CCSCC1=CC2=C(C=C1)OC(=C2)C3=NC4=C(C=CC(=C4)Cl)C=C3

InChI

InChI=1S/C22H18ClNO3S/c1-26-22(25)8-9-28-13-14-2-7-20-16(10-14)11-21(27-20)18-6-4-15-3-5-17(23)12-19(15)24-18/h2-7,10-12H,8-9,13H2,1H3