ethyl 5-cyano-2-ethoxy-6-[3-[(4-fluorophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-ethoxy-6-[3-[(4-fluorophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-ethoxy-6-[3-[(4-fluorophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate CAS Name: 5-cyano-2-ethoxy-6-[3-[[(4-fluorophenyl)methylsulfonylamino]-oxomethyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-ethoxy-6-[3-[(4-fluorophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-ethoxy-6-[3-[(4-fluorobenzyl)sulfonylcarbamoyl]azetidin-1-yl]nicotinic acid ethyl ester Formula: C22H23FN4O6S MolecularWeight: 490.504623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=N1)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=C(C=C3)F)C#N)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=N1)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=C(C=C3)F)C#N)C(=O)OCC

InChI

InChI=1S/C22H23FN4O6S/c1-3-32-21-18(22(29)33-4-2)9-15(10-24)19(25-21)27-11-16(12-27)20(28)26-34(30,31)13-14-5-7-17(23)8-6-14/h5-9,16H,3-4,11-13H2,1-2H3,(H,26,28)