[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (4Z)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (4Z)-2-tert-butyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-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-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-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-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C32H31N3O6S MolecularWeight: 585.67004

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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)NC5=C(C=CC(=C5)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)(C)C1C/C(=C/C2=CC=CS2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)NC5=C(C=CC(=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C32H31N3O6S/c1-32(2,3)20-14-19(15-22-8-7-13-42-22)30-24(16-20)29(23-9-5-6-10-25(23)34-30)31(37)41-18-28(36)33-26-17-21(35(38)39)11-12-27(26)40-4/h5-13,15,17,20H,14,16,18H2,1-4H3,(H,33,36)/b19-15-