ethyl 5-cyano-6-[3-(2,3-dihydro-1-benzofuran-5-ylsulfonylcarbamoyl)azetidin-1-yl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[3-(2,3-dihydro-1-benzofuran-5-ylsulfonylcarbamoyl)azetidin-1-yl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[3-(2,3-dihydrobenzofuran-5-ylsulfonylcarbamoyl)azetidin-1-yl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[3-[(2,3-dihydrobenzofuran-5-ylsulfonylamino)-oxomethyl]-1-azetidinyl]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[3-(2,3-dihydro-1-benzofuran-5-ylsulfonylcarbamoyl)azetidin-1-yl]-2-methylpyridine-3-carboxylate Traditional Name: 6-[3-(coumaran-5-ylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C22H22N4O6S MolecularWeight: 470.49828

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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=CC4=C(C=C3)OCC4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)C3=CC4=C(C=C3)OCC4)C

InChI

InChI=1S/C22H22N4O6S/c1-3-31-22(28)18-9-15(10-23)20(24-13(18)2)26-11-16(12-26)21(27)25-33(29,30)17-4-5-19-14(8-17)6-7-32-19/h4-5,8-9,16H,3,6-7,11-12H2,1-2H3,(H,25,27)