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

Systemtic Name: 2-tert-butyl-4-[(4-methylsulfanylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: 2-tert-butyl-4-[(4-methylsulfanylphenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: 2-tert-butyl-4-[[4-(methylthio)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: 2-tert-butyl-4-[(4-methylsulfanylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: 2-tert-butyl-4-[4-(methylthio)benzylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C26H27NO2S MolecularWeight: 417.56308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO2S/c1-26(2,3)18-14-17(13-16-9-11-19(30-4)12-10-16)24-21(15-18)23(25(28)29)20-7-5-6-8-22(20)27-24/h5-13,18H,14-15H2,1-4H3,(H,28,29)