2-[(4-chlorophenyl)methylsulfanyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylethanoate

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylethanoate Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl-[4-(2-quinolylmethoxy)phenyl]methyl]sulfanylacetate CAS Name: 2-[[[(4-chlorophenyl)methylthio]-[4-(2-quinolinylmethoxy)phenyl]methyl]thio]acetate IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylacetate Traditional Name: 2-[[[(4-chlorobenzyl)thio]-[4-(2-quinolylmethoxy)phenyl]methyl]thio]acetate Formula: C26H21ClNO3S2- MolecularWeight: 495.03284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C(SCC4=CC=C(C=C4)Cl)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C(SCC4=CC=C(C=C4)Cl)SCC(=O)[O-]

InChI

InChI=1S/C26H22ClNO3S2/c27-21-10-5-18(6-11-21)16-32-26(33-17-25(29)30)20-8-13-23(14-9-20)31-15-22-12-7-19-3-1-2-4-24(19)28-22/h1-14,26H,15-17H2,(H,29,30)/p-1