(4-cyanophenyl)methyl 2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (4-cyanophenyl)methyl 2-tert-butyl-4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: 2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: 2-tert-butyl-4-(2-thenylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (4-cyanobenzyl) ester Formula: C31H28N2O2S MolecularWeight: 492.63122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(=CC2=CC=CS2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC5=CC=C(C=C5)C#N

Isomeric SMILES

CC(C)(C)C1CC(=CC2=CC=CS2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H28N2O2S/c1-31(2,3)23-15-22(16-24-7-6-14-36-24)29-26(17-23)28(25-8-4-5-9-27(25)33-29)30(34)35-19-21-12-10-20(18-32)11-13-21/h4-14,16,23H,15,17,19H2,1-3H3