(E)-2-methyl-3-[4-[4-(quinolin-2-ylmethoxy)phenyl]sulfanylphenyl]prop-2-enoic acid

Systemtic Name: (E)-2-methyl-3-[4-[4-(quinolin-2-ylmethoxy)phenyl]sulfanylphenyl]prop-2-enoic acid Openeye Name: (E)-2-methyl-3-[4-[4-(2-quinolylmethoxy)phenyl]sulfanylphenyl]prop-2-enoic acid CAS Name: (E)-2-methyl-3-[4-[[4-(2-quinolinylmethoxy)phenyl]thio]phenyl]-2-propenoic acid IUPAC Name: (E)-2-methyl-3-[4-[4-(quinolin-2-ylmethoxy)phenyl]sulfanylphenyl]prop-2-enoic acid Traditional Name: (E)-2-methyl-3-[4-[[4-(2-quinolylmethoxy)phenyl]thio]phenyl]acrylic acid Formula: C26H21NO3S MolecularWeight: 427.51484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)SC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C/C(=C\C1=CC=C(C=C1)SC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)/C(=O)O

InChI

InChI=1S/C26H21NO3S/c1-18(26(28)29)16-19-6-12-23(13-7-19)31-24-14-10-22(11-15-24)30-17-21-9-8-20-4-2-3-5-25(20)27-21/h2-16H,17H2,1H3,(H,28,29)/b18-16+