methyl 3-[[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-methyl]sulfanylpropanoate

Systemtic Name: methyl 3-[[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-methyl]sulfanylpropanoate Openeye Name: methyl 3-[[2-(7-chloro-2-quinolyl)benzofuran-5-yl]-(3-methoxy-3-oxo-propyl)sulfanyl-methyl]sulfanylpropanoate CAS Name: 3-[[[2-(7-chloro-2-quinolinyl)-5-benzofuranyl]-[(3-methoxy-3-oxopropyl)thio]methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]-(3-methoxy-3-oxopropyl)sulfanylmethyl]sulfanylpropanoate Traditional Name: 3-[[[2-(7-chloro-2-quinolyl)benzofuran-5-yl]-[(3-keto-3-methoxy-propyl)thio]methyl]thio]propionic acid methyl ester Formula: C26H24ClNO5S2 MolecularWeight: 530.05546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClNO5S2/c1-31-24(29)9-11-34-26(35-12-10-25(30)32-2)17-5-8-22-18(13-17)14-23(33-22)20-7-4-16-3-6-19(27)15-21(16)28-20/h3-8,13-15,26H,9-12H2,1-2H3