ethyl 6-[3-(2,1,3-benzothiadiazol-4-ylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[3-(2,1,3-benzothiadiazol-4-ylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[3-(2,1,3-benzothiadiazol-4-ylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[3-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)-oxomethyl]-1-azetidinyl]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(2,1,3-benzothiadiazol-4-ylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[3-(piazthiol-4-ylsulfonylcarbamoyl)azetidin-1-yl]nicotinic acid ethyl ester Formula: C20H18N6O5S2 MolecularWeight: 486.52412

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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=CC=CC4=NSN=C43)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)C3=CC=CC4=NSN=C43)C

InChI

InChI=1S/C20H18N6O5S2/c1-3-31-20(28)14-7-12(8-21)18(22-11(14)2)26-9-13(10-26)19(27)25-33(29,30)16-6-4-5-15-17(16)24-32-23-15/h4-7,13H,3,9-10H2,1-2H3,(H,25,27)