ethyl 2-[phenyl-bis[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylethanoate

Systemtic Name: ethyl 2-[phenyl-bis[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylethanoate Openeye Name: ethyl 2-[phenyl-bis[4-(2-quinolylmethoxy)phenyl]methyl]sulfanylacetate CAS Name: 2-[[phenyl-bis[4-(2-quinolinylmethoxy)phenyl]methyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[phenyl-bis[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylacetate Traditional Name: 2-[[phenyl-bis[4-(2-quinolylmethoxy)phenyl]methyl]thio]acetic acid ethyl ester Formula: C43H36N2O4S MolecularWeight: 676.82194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(C1=CC=CC=C1)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6

Isomeric SMILES

CCOC(=O)CSC(C1=CC=CC=C1)(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6

InChI

InChI=1S/C43H36N2O4S/c1-2-47-42(46)30-50-43(33-12-4-3-5-13-33,34-18-24-38(25-19-34)48-28-36-22-16-31-10-6-8-14-40(31)44-36)35-20-26-39(27-21-35)49-29-37-23-17-32-11-7-9-15-41(32)45-37/h3-27H,2,28-30H2,1H3