3-[butylsulfanyl-[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]methyl]sulfanylpropanoic acid

Systemtic Name: 3-[butylsulfanyl-[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]methyl]sulfanylpropanoic acid Openeye Name: 3-[butylsulfanyl-[2-(7-chloro-2-quinolyl)benzofuran-5-yl]methyl]sulfanylpropanoic acid CAS Name: 3-[[(butylthio)-[2-(7-chloro-2-quinolinyl)-5-benzofuranyl]methyl]thio]propanoic acid IUPAC Name: 3-[butylsulfanyl-[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]methyl]sulfanylpropanoic acid Traditional Name: 3-[[(butylthio)-[2-(7-chloro-2-quinolyl)benzofuran-5-yl]methyl]thio]propionic acid Formula: C25H24ClNO3S2 MolecularWeight: 486.04596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClNO3S2/c1-2-3-11-31-25(32-12-10-24(28)29)17-6-9-22-18(13-17)14-23(30-22)20-8-5-16-4-7-19(26)15-21(16)27-20/h4-9,13-15,25H,2-3,10-12H2,1H3,(H,28,29)