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

Systemtic Name: ethyl 5-cyano-6-[3-[2-(3-fluorophenyl)ethylsulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[3-[2-(3-fluorophenyl)ethylsulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[3-[[2-(3-fluorophenyl)ethylsulfonylamino]-oxomethyl]-1-azetidinyl]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[3-[2-(3-fluorophenyl)ethylsulfonylcarbamoyl]azetidin-1-yl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[3-[2-(3-fluorophenyl)ethylsulfonylcarbamoyl]azetidin-1-yl]-2-methyl-nicotinic acid ethyl ester Formula: C22H23FN4O5S MolecularWeight: 474.505223

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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)CCC3=CC(=CC=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)CCC3=CC(=CC=C3)F)C

InChI

InChI=1S/C22H23FN4O5S/c1-3-32-22(29)19-10-16(11-24)20(25-14(19)2)27-12-17(13-27)21(28)26-33(30,31)8-7-15-5-4-6-18(23)9-15/h4-6,9-10,17H,3,7-8,12-13H2,1-2H3,(H,26,28)