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

Systemtic Name: ethyl 5-cyano-6-[3-[(3-fluorophenyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[3-[(3-fluorophenyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[3-[[(3-fluorophenyl)sulfonylamino]-oxomethyl]-1-azetidinyl]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[3-[(3-fluorophenyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[3-[(3-fluorophenyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methyl-nicotinic acid ethyl ester Formula: C20H19FN4O5S MolecularWeight: 446.452063

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN4O5S/c1-3-30-20(27)17-7-13(9-22)18(23-12(17)2)25-10-14(11-25)19(26)24-31(28,29)16-6-4-5-15(21)8-16/h4-8,14H,3,10-11H2,1-2H3,(H,24,26)