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

Systemtic Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-[(6-ethoxy-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-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-ethoxy-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-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=C4CC(CCC4=NC5=CC=CC=C53)C(C)(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=C4CC(CCC4=NC5=CC=CC=C53)C(C)(C)C

InChI

InChI=1S/C29H31N3O4S/c1-5-35-18-11-13-23-24(15-18)37-28(31-23)32-25(33)16-36-27(34)26-19-8-6-7-9-21(19)30-22-12-10-17(14-20(22)26)29(2,3)4/h6-9,11,13,15,17H,5,10,12,14,16H2,1-4H3,(H,31,32,33)