2-[(3E)-2-methyl-3-[(2-methylsulfinylphenyl)methylidene]-6-(quinolin-2-ylmethoxy)inden-1-yl]ethanoic acid

Systemtic Name: 2-[(3E)-2-methyl-3-[(2-methylsulfinylphenyl)methylidene]-6-(quinolin-2-ylmethoxy)inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-2-methyl-3-[(2-methylsulfinylphenyl)methylene]-6-(2-quinolylmethoxy)inden-1-yl]acetic acid CAS Name: 2-[(3E)-2-methyl-3-[(2-methylsulfinylphenyl)methylidene]-6-(2-quinolinylmethoxy)-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-2-methyl-3-[(2-methylsulfinylphenyl)methylidene]-6-(quinolin-2-ylmethoxy)inden-1-yl]acetic acid Traditional Name: 2-[(3E)-2-methyl-3-(2-methylsulfinylbenzylidene)-6-(2-quinolylmethoxy)inden-1-yl]acetic acid Formula: C30H25NO4S MolecularWeight: 495.5888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=CC=C3S(=O)C)C=CC(=C2)OCC4=NC5=CC=CC=C5C=C4)CC(=O)O

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=CC=C3S(=O)C)C=CC(=C2)OCC4=NC5=CC=CC=C5C=C4)CC(=O)O

InChI

InChI=1S/C30H25NO4S/c1-19-25(15-21-8-4-6-10-29(21)36(2)34)24-14-13-23(16-27(24)26(19)17-30(32)33)35-18-22-12-11-20-7-3-5-9-28(20)31-22/h3-16H,17-18H2,1-2H3,(H,32,33)/b25-15+