2-[phenethylsulfanyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylethanoic acid

Systemtic Name: 2-[phenethylsulfanyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylethanoic acid Openeye Name: 2-[phenethylsulfanyl-[4-(2-quinolylmethoxy)phenyl]methyl]sulfanylacetic acid CAS Name: 2-[[(phenethylthio)-[4-(2-quinolinylmethoxy)phenyl]methyl]thio]acetic acid IUPAC Name: 2-[phenethylsulfanyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylacetic acid Traditional Name: 2-[[(phenethylthio)-[4-(2-quinolylmethoxy)phenyl]methyl]thio]acetic acid Formula: C27H25NO3S2 MolecularWeight: 475.6223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)SCC(=O)O

InChI

InChI=1S/C27H25NO3S2/c29-26(30)19-33-27(32-17-16-20-6-2-1-3-7-20)22-11-14-24(15-12-22)31-18-23-13-10-21-8-4-5-9-25(21)28-23/h1-15,27H,16-19H2,(H,29,30)