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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 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 (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 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-keto-3,3-dimethyl-butyl) ester Formula: C29H33NO3S MolecularWeight: 475.64222

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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(=O)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO3S/c1-28(2,3)19-14-18(15-20-10-9-13-34-20)26-22(16-19)25(21-11-7-8-12-23(21)30-26)27(32)33-17-24(31)29(4,5)6/h7-13,15,19H,14,16-17H2,1-6H3