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

Systemtic Name: [2-[[(2R)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate Openeye Name: [2-[[(2R)-2-ethylhexyl]amino]-2-oxo-ethyl] 4-methyl-2-(2-pyridyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-(2-pyridinyl)-5-thiazolecarboxylic acid [2-[[(2R)-2-ethylhexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-ethylhexyl]amino]-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-[[(2R)-2-ethylhexyl]amino]-2-keto-ethyl] ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)COC(=O)C1=C(N=C(S1)C2=CC=CC=N2)C

Isomeric SMILES

CCCC[C@@H](CC)CNC(=O)COC(=O)C1=C(N=C(S1)C2=CC=CC=N2)C

InChI

InChI=1S/C20H27N3O3S/c1-4-6-9-15(5-2)12-22-17(24)13-26-20(25)18-14(3)23-19(27-18)16-10-7-8-11-21-16/h7-8,10-11,15H,4-6,9,12-13H2,1-3H3,(H,22,24)/t15-/m1/s1