[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C27H26N4O5S MolecularWeight: 518.58414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O5S/c1-27(2,3)15-8-10-20-18(12-15)24(17-6-4-5-7-19(17)28-20)25(33)36-14-23(32)30-26-29-21-11-9-16(31(34)35)13-22(21)37-26/h4-7,9,11,13,15H,8,10,12,14H2,1-3H3,(H,29,30,32)