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

Systemtic Name: methyl 3-[butylsulfanyl-[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]methyl]sulfanylpropanoate Openeye Name: methyl 3-[butylsulfanyl-[2-(7-chloro-2-quinolyl)benzofuran-5-yl]methyl]sulfanylpropanoate CAS Name: 3-[[(butylthio)-[2-(7-chloro-2-quinolinyl)-5-benzofuranyl]methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[butylsulfanyl-[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]methyl]sulfanylpropanoate Traditional Name: 3-[[(butylthio)-[2-(7-chloro-2-quinolyl)benzofuran-5-yl]methyl]thio]propionic acid methyl ester Formula: C26H26ClNO3S2 MolecularWeight: 500.07254

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClNO3S2/c1-3-4-12-32-26(33-13-11-25(29)30-2)18-7-10-23-19(14-18)15-24(31-23)21-9-6-17-5-8-20(27)16-22(17)28-21/h5-10,14-16,26H,3-4,11-13H2,1-2H3