cyanomethyl (2R,4E)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: cyanomethyl (2R,4E)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: cyanomethyl (2R,4E)-2-tert-butyl-4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (2R,4E)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl (2R,4E)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (2R,4E)-2-tert-butyl-4-(2-thenylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid cyanomethyl ester Formula: C25H24N2O2S MolecularWeight: 416.53526

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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)OCC#N

Isomeric SMILES

CC(C)(C)[C@@H]1C/C(=C\C2=CC=CS2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC#N

InChI

InChI=1S/C25H24N2O2S/c1-25(2,3)17-13-16(14-18-7-6-12-30-18)23-20(15-17)22(24(28)29-11-10-26)19-8-4-5-9-21(19)27-23/h4-9,12,14,17H,11,13,15H2,1-3H3/b16-14+/t17-/m1/s1