[2-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-ethyl] (4Z)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-ethyl] (4Z)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-[(4-tert-butylbenzoyl)amino]-2-oxo-ethyl] (4Z)-2-tert-butyl-4-(2-thienylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4Z)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] (4Z)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4Z)-2-tert-butyl-4-(2-thenylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-[(4-tert-butylbenzoyl)amino]-2-keto-ethyl] ester Formula: C36H38N2O4S MolecularWeight: 594.76292

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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)NC(=O)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1C/C(=C/C2=CC=CS2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)NC(=O)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C36H38N2O4S/c1-35(2,3)24-15-13-22(14-16-24)33(40)38-30(39)21-42-34(41)31-27-11-7-8-12-29(27)37-32-23(19-26-10-9-17-43-26)18-25(20-28(31)32)36(4,5)6/h7-17,19,25H,18,20-21H2,1-6H3,(H,38,39,40)/b23-19-