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

Systemtic Name: ethyl 5-cyano-2-(fluoranylmethyl)-6-[3-[(phenylmethyl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-(fluoromethyl)pyridine-3-carboxylate CAS Name: 5-cyano-2-(fluoromethyl)-6-[3-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-(fluoromethyl)pyridine-3-carboxylate Traditional Name: 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-(fluoromethyl)nicotinic acid ethyl ester Formula: C21H21FN4O5S MolecularWeight: 460.478643

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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=C3)CF

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)CF

InChI

InChI=1S/C21H21FN4O5S/c1-2-31-21(28)17-8-15(10-23)19(24-18(17)9-22)26-11-16(12-26)20(27)25-32(29,30)13-14-6-4-3-5-7-14/h3-8,16H,2,9,11-13H2,1H3,(H,25,27)