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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-(pyridin-3-ylmethylsulfonylcarbamoyl)azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[3-(3-pyridylmethylsulfonylcarbamoyl)azetidin-1-yl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[3-[oxo-(3-pyridinylmethylsulfonylamino)methyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[3-(pyridin-3-ylmethylsulfonylcarbamoyl)azetidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[3-(3-pyridylmethylsulfonylcarbamoyl)azetidin-1-yl]nicotinic acid ethyl ester Formula: C20H21N5O5S MolecularWeight: 443.47624

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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=CN=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O5S/c1-3-30-20(27)17-7-15(8-21)18(23-13(17)2)25-10-16(11-25)19(26)24-31(28,29)12-14-5-4-6-22-9-14/h4-7,9,16H,3,10-12H2,1-2H3,(H,24,26)