2-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid

Systemtic Name: 2-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: 2-(1,1-dimethylpropyl)-4-[(4-methylsulfanylphenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: 2-(2-methylbutan-2-yl)-4-[[4-(methylthio)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: 2-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: 2-tert-amyl-4-[4-(methylthio)benzylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C27H29NO2S MolecularWeight: 431.58966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CC(=CC2=CC=C(C=C2)SC)C3=NC4=CC=CC=C4C(=C3C1)C(=O)O

Isomeric SMILES

CCC(C)(C)C1CC(=CC2=CC=C(C=C2)SC)C3=NC4=CC=CC=C4C(=C3C1)C(=O)O

InChI

InChI=1S/C27H29NO2S/c1-5-27(2,3)19-15-18(14-17-10-12-20(31-4)13-11-17)25-22(16-19)24(26(29)30)21-8-6-7-9-23(21)28-25/h6-14,19H,5,15-16H2,1-4H3,(H,29,30)