methyl 4-[[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]-(4-methoxy-4-oxidanylidene-butyl)sulfanyl-methyl]sulfanylbutanoate

Systemtic Name: methyl 4-[[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]-(4-methoxy-4-oxidanylidene-butyl)sulfanyl-methyl]sulfanylbutanoate Openeye Name: methyl 4-[[2-(7-chloro-2-quinolyl)benzofuran-5-yl]-(4-methoxy-4-oxo-butyl)sulfanyl-methyl]sulfanylbutanoate CAS Name: 4-[[[2-(7-chloro-2-quinolinyl)-5-benzofuranyl]-[(4-methoxy-4-oxobutyl)thio]methyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]-(4-methoxy-4-oxobutyl)sulfanylmethyl]sulfanylbutanoate Traditional Name: 4-[[[2-(7-chloro-2-quinolyl)benzofuran-5-yl]-[(4-keto-4-methoxy-butyl)thio]methyl]thio]butyric acid methyl ester Formula: C28H28ClNO5S2 MolecularWeight: 558.10862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28ClNO5S2/c1-33-26(31)5-3-13-36-28(37-14-4-6-27(32)34-2)19-9-12-24-20(15-19)16-25(35-24)22-11-8-18-7-10-21(29)17-23(18)30-22/h7-12,15-17,28H,3-6,13-14H2,1-2H3