ethyl 5-cyano-2-ethyl-6-[3-[(4-fluoranyl-3-methyl-phenyl)methylsulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-ethyl-6-[3-[(4-fluoranyl-3-methyl-phenyl)methylsulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-ethyl-6-[3-[(4-fluoro-3-methyl-phenyl)methylsulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate CAS Name: 5-cyano-2-ethyl-6-[3-[[(4-fluoro-3-methylphenyl)methylsulfonylamino]-oxomethyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-ethyl-6-[3-[(4-fluoro-3-methylphenyl)methylsulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-ethyl-6-[3-[(4-fluoro-3-methyl-benzyl)sulfonylcarbamoyl]azetidin-1-yl]nicotinic acid ethyl ester Formula: C23H25FN4O5S MolecularWeight: 488.531803

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC(=C(C=C3)F)C)C#N)C(=O)OCC

Isomeric SMILES

CCC1=C(C=C(C(=N1)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC(=C(C=C3)F)C)C#N)C(=O)OCC

InChI

InChI=1S/C23H25FN4O5S/c1-4-20-18(23(30)33-5-2)9-16(10-25)21(26-20)28-11-17(12-28)22(29)27-34(31,32)13-15-6-7-19(24)14(3)8-15/h6-9,17H,4-5,11-13H2,1-3H3,(H,27,29)