(E)-2-(4-methylsulfinylphenyl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-(4-methylsulfinylphenyl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(4-methylsulfinylphenyl)prop-2-enoic acid CAS Name: (E)-2-(4-methylsulfinylphenyl)-3-[3-(6-propan-2-yl-8-quinolinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-2-(4-methylsulfinylphenyl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(4-methylsulfinylphenyl)acrylic acid Formula: C28H25NO3S MolecularWeight: 455.568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C=C(C4=CC=C(C=C4)S(=O)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C28H25NO3S/c1-18(2)23-16-22-8-5-13-29-27(22)25(17-23)21-7-4-6-19(14-21)15-26(28(30)31)20-9-11-24(12-10-20)33(3)32/h4-18H,1-3H3,(H,30,31)/b26-15+