2-[(3E)-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]-6-(quinolin-2-ylmethoxy)inden-1-yl]ethanoic acid

Systemtic Name: 2-[(3E)-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]-6-(quinolin-2-ylmethoxy)inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-2-methyl-3-[(4-methylsulfanylphenyl)methylene]-6-(2-quinolylmethoxy)inden-1-yl]acetic acid CAS Name: 2-[(3E)-2-methyl-3-[[4-(methylthio)phenyl]methylidene]-6-(2-quinolinylmethoxy)-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]-6-(quinolin-2-ylmethoxy)inden-1-yl]acetic acid Traditional Name: 2-[(3E)-2-methyl-3-[4-(methylthio)benzylidene]-6-(2-quinolylmethoxy)inden-1-yl]acetic acid Formula: C30H25NO3S MolecularWeight: 479.5894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)SC)C=CC(=C2)OCC4=NC5=CC=CC=C5C=C4)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C30H25NO3S/c1-19-26(15-20-7-12-24(35-2)13-8-20)25-14-11-23(16-28(25)27(19)17-30(32)33)34-18-22-10-9-21-5-3-4-6-29(21)31-22/h3-16H,17-18H2,1-2H3,(H,32,33)/b26-15+