1,3-benzothiazol-2-ylmethyl 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(1,1-dimethylpropyl)-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 2-tert-amyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H28N2O2S/c1-4-27(2,3)17-13-14-21-19(15-17)25(18-9-5-6-10-20(18)28-21)26(30)31-16-24-29-22-11-7-8-12-23(22)32-24/h5-12,17H,4,13-16H2,1-3H3