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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=CC(=CC2=C1C=CC(=N2)C3=CC4=CC=CC=C4O3)Cl

Isomeric SMILES

COC(=O)CCSCC1=CC(=CC2=C1C=CC(=N2)C3=CC4=CC=CC=C4O3)Cl

InChI

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