(E)-2-(4-methylperoxysulfanylphenyl)-3-[3-(6-methylquinolin-8-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-(4-methylperoxysulfanylphenyl)-3-[3-(6-methylquinolin-8-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-2-(4-methylperoxysulfanylphenyl)-3-[3-(6-methyl-8-quinolyl)phenyl]prop-2-enoic acid CAS Name: (E)-2-[4-(methyldioxythio)phenyl]-3-[3-(6-methyl-8-quinolinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-2-(4-methylperoxysulfanylphenyl)-3-[3-(6-methylquinolin-8-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-2-[4-(methylperoxythio)phenyl]-3-[3-(6-methyl-8-quinolyl)phenyl]acrylic acid Formula: C26H21NO4S MolecularWeight: 443.51424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C=C(C4=CC=C(C=C4)SOOC)C(=O)O

Isomeric SMILES

CC1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)/C=C(\C4=CC=C(C=C4)SOOC)/C(=O)O

InChI

InChI=1S/C26H21NO4S/c1-17-13-21-7-4-12-27-25(21)23(14-17)20-6-3-5-18(15-20)16-24(26(28)29)19-8-10-22(11-9-19)32-31-30-2/h3-16H,1-2H3,(H,28,29)/b24-16+