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

Systemtic Name: (4-nitrophenyl)methyl (2S,4E)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4E)-2-tert-butyl-4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (2S,4E)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4E)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (2S,4E)-2-tert-butyl-4-(2-thenylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (4-nitrobenzyl) ester Formula: C30H28N2O4S MolecularWeight: 512.61932

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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)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)[C@H]1C/C(=C\C2=CC=CS2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H28N2O4S/c1-30(2,3)21-15-20(16-23-7-6-14-37-23)28-25(17-21)27(24-8-4-5-9-26(24)31-28)29(33)36-18-19-10-12-22(13-11-19)32(34)35/h4-14,16,21H,15,17-18H2,1-3H3/b20-16+/t21-/m0/s1