[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-methyl-2-(2-pyridyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-(2-pyridinyl)-5-thiazolecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(2-pyridyl)thiazole-5-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H25N3O3S/c1-13-19(29-20(24-13)17-4-2-3-5-23-17)21(27)28-12-18(26)25-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,14-16H,6-12H2,1H3,(H,25,26)