2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenyl]sulfanylmethyl]phenoxy]propanoic acid

Systemtic Name: 2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenyl]sulfanylmethyl]phenoxy]propanoic acid Openeye Name: 2-[2-[[4-[(E)-2-(2-quinolyl)vinyl]phenyl]sulfanylmethyl]phenoxy]propanoic acid CAS Name: 2-[2-[[[4-[(E)-2-(2-quinolinyl)ethenyl]phenyl]thio]methyl]phenoxy]propanoic acid IUPAC Name: 2-[2-[[4-[(E)-2-quinolin-2-ylethenyl]phenyl]sulfanylmethyl]phenoxy]propanoic acid Traditional Name: 2-[2-[[[4-[(E)-2-(2-quinolyl)vinyl]phenyl]thio]methyl]phenoxy]propionic acid Formula: C27H23NO3S MolecularWeight: 441.54142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=CC=C1CSC2=CC=C(C=C2)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)O)OC1=CC=CC=C1CSC2=CC=C(C=C2)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H23NO3S/c1-19(27(29)30)31-26-9-5-3-7-22(26)18-32-24-16-11-20(12-17-24)10-14-23-15-13-21-6-2-4-8-25(21)28-23/h2-17,19H,18H2,1H3,(H,29,30)/b14-10+