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

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] (4Z)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(4-carbamoylanilino)-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-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-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-carbamoylanilino)-2-keto-ethyl] ester Formula: C32H31N3O4S MolecularWeight: 553.67124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(=CC2=CC=CS2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)NC5=CC=C(C=C5)C(=O)N

Isomeric SMILES

CC(C)(C)C1C/C(=C/C2=CC=CS2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)NC5=CC=C(C=C5)C(=O)N

InChI

InChI=1S/C32H31N3O4S/c1-32(2,3)21-15-20(16-23-7-6-14-40-23)29-25(17-21)28(24-8-4-5-9-26(24)35-29)31(38)39-18-27(36)34-22-12-10-19(11-13-22)30(33)37/h4-14,16,21H,15,17-18H2,1-3H3,(H2,33,37)(H,34,36)/b20-16-