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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-(1-phenylethylsulfonylcarbamoyl)azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[3-(1-phenylethylsulfonylcarbamoyl)azetidin-1-yl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[3-[oxo-(1-phenylethylsulfonylamino)methyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[3-(1-phenylethylsulfonylcarbamoyl)azetidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[3-(1-phenylethylsulfonylcarbamoyl)azetidin-1-yl]nicotinic acid ethyl ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O5S/c1-4-31-22(28)19-10-17(11-23)20(24-14(19)2)26-12-18(13-26)21(27)25-32(29,30)15(3)16-8-6-5-7-9-16/h5-10,15,18H,4,12-13H2,1-3H3,(H,25,27)