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

Systemtic Name: (2-oxidanylidenecyclohexyl) 2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (2-oxocyclohexyl) 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 (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 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 (2-ketocyclohexyl) ester Formula: C29H31NO3S MolecularWeight: 473.62634

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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)OC5CCCCC5=O

Isomeric SMILES

CC(C)(C)C1CC(=CC2=CC=CS2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OC5CCCCC5=O

InChI

InChI=1S/C29H31NO3S/c1-29(2,3)19-15-18(16-20-9-8-14-34-20)27-22(17-19)26(21-10-4-5-11-23(21)30-27)28(32)33-25-13-7-6-12-24(25)31/h4-5,8-11,14,16,19,25H,6-7,12-13,15,17H2,1-3H3