ethyl 4-[(3-ethoxy-3-oxidanylidene-propyl)-pentan-3-yl-amino]-6-methyl-2-(trifluoromethylsulfonyloxy)pyridine-3-carboxylate

Systemtic Name: ethyl 4-[(3-ethoxy-3-oxidanylidene-propyl)-pentan-3-yl-amino]-6-methyl-2-(trifluoromethylsulfonyloxy)pyridine-3-carboxylate Openeye Name: ethyl 4-[(3-ethoxy-3-oxo-propyl)-(1-ethylpropyl)amino]-6-methyl-2-(trifluoromethylsulfonyloxy)pyridine-3-carboxylate CAS Name: 4-[(3-ethoxy-3-oxopropyl)-pentan-3-ylamino]-6-methyl-2-(trifluoromethylsulfonyloxy)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-ethoxy-3-oxopropyl)-pentan-3-ylamino]-6-methyl-2-(trifluoromethylsulfonyloxy)pyridine-3-carboxylate Traditional Name: 4-[(3-ethoxy-3-keto-propyl)-(1-ethylpropyl)amino]-6-methyl-2-triflyloxy-nicotinic acid ethyl ester Formula: C20H29F3N2O7S MolecularWeight: 498.51367

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N(CCC(=O)OCC)C1=CC(=NC(=C1C(=O)OCC)OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CCC(CC)N(CCC(=O)OCC)C1=CC(=NC(=C1C(=O)OCC)OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C20H29F3N2O7S/c1-6-14(7-2)25(11-10-16(26)30-8-3)15-12-13(5)24-18(17(15)19(27)31-9-4)32-33(28,29)20(21,22)23/h12,14H,6-11H2,1-5H3