ethyl 5-[[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]-(5-ethoxy-5-oxidanylidene-pentyl)sulfanyl-methyl]sulfanylpentanoate

Systemtic Name: ethyl 5-[[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]-(5-ethoxy-5-oxidanylidene-pentyl)sulfanyl-methyl]sulfanylpentanoate Openeye Name: ethyl 5-[[2-(7-chloro-2-quinolyl)benzofuran-5-yl]-(5-ethoxy-5-oxo-pentyl)sulfanyl-methyl]sulfanylpentanoate CAS Name: 5-[[[2-(7-chloro-2-quinolinyl)-5-benzofuranyl]-[(5-ethoxy-5-oxopentyl)thio]methyl]thio]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]-(5-ethoxy-5-oxopentyl)sulfanylmethyl]sulfanylpentanoate Traditional Name: 5-[[[2-(7-chloro-2-quinolyl)benzofuran-5-yl]-[(5-ethoxy-5-keto-pentyl)thio]methyl]thio]valeric acid ethyl ester Formula: C32H36ClNO5S2 MolecularWeight: 614.21494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCSC(C1=CC2=C(C=C1)OC(=C2)C3=NC4=C(C=CC(=C4)Cl)C=C3)SCCCCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCCCSC(C1=CC2=C(C=C1)OC(=C2)C3=NC4=C(C=CC(=C4)Cl)C=C3)SCCCCC(=O)OCC

InChI

InChI=1S/C32H36ClNO5S2/c1-3-37-30(35)9-5-7-17-40-32(41-18-8-6-10-31(36)38-4-2)23-13-16-28-24(19-23)20-29(39-28)26-15-12-22-11-14-25(33)21-27(22)34-26/h11-16,19-21,32H,3-10,17-18H2,1-2H3