5-[[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]-(5-oxidanyl-5-oxidanylidene-pentyl)sulfanyl-methyl]sulfanylpentanoic acid

Systemtic Name: 5-[[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]-(5-oxidanyl-5-oxidanylidene-pentyl)sulfanyl-methyl]sulfanylpentanoic acid Openeye Name: 5-[[2-(7-chloro-2-quinolyl)benzofuran-5-yl]-(5-hydroxy-5-oxo-pentyl)sulfanyl-methyl]sulfanylpentanoic acid CAS Name: 5-[[[2-(7-chloro-2-quinolinyl)-5-benzofuranyl]-[(5-hydroxy-5-oxopentyl)thio]methyl]thio]pentanoic acid IUPAC Name: 5-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]-(5-hydroxy-5-oxopentyl)sulfanylmethyl]sulfanylpentanoic acid Traditional Name: 5-[[[2-(7-chloro-2-quinolyl)benzofuran-5-yl]-[(5-hydroxy-5-keto-pentyl)thio]methyl]thio]valeric acid Formula: C28H28ClNO5S2 MolecularWeight: 558.10862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=N2)C3=CC4=C(O3)C=CC(=C4)C(SCCCCC(=O)O)SCCCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=N2)C3=CC4=C(O3)C=CC(=C4)C(SCCCCC(=O)O)SCCCCC(=O)O)Cl

InChI

InChI=1S/C28H28ClNO5S2/c29-21-10-7-18-8-11-22(30-23(18)17-21)25-16-20-15-19(9-12-24(20)35-25)28(36-13-3-1-5-26(31)32)37-14-4-2-6-27(33)34/h7-12,15-17,28H,1-6,13-14H2,(H,31,32)(H,33,34)