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

Systemtic Name: ethyl 5-cyano-6-[3-[(2-fluorophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methoxy-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[3-[(2-fluorophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methoxy-pyridine-3-carboxylate CAS Name: 5-cyano-6-[3-[[(2-fluorophenyl)methylsulfonylamino]-oxomethyl]-1-azetidinyl]-2-methoxy-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[3-[(2-fluorophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methoxypyridine-3-carboxylate Traditional Name: 5-cyano-6-[3-[(2-fluorobenzyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methoxy-nicotinic acid ethyl ester Formula: C21H21FN4O6S MolecularWeight: 476.478043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=CC=C3F)OC

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=CC=C3F)OC

InChI

InChI=1S/C21H21FN4O6S/c1-3-32-21(28)16-8-14(9-23)18(24-20(16)31-2)26-10-15(11-26)19(27)25-33(29,30)12-13-6-4-5-7-17(13)22/h4-8,15H,3,10-12H2,1-2H3,(H,25,27)