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

Systemtic Name: ethyl 6-[3-(1,2-benzoxazol-3-ylmethylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[3-(1,2-benzoxazol-3-ylmethylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[3-[(1,2-benzoxazol-3-ylmethylsulfonylamino)-oxomethyl]-1-azetidinyl]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(1,2-benzoxazol-3-ylmethylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[3-(indoxazen-3-ylmethylsulfonylcarbamoyl)azetidin-1-yl]-2-methyl-nicotinic acid ethyl ester Formula: C22H21N5O6S MolecularWeight: 483.49704

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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=NOC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)CC3=NOC4=CC=CC=C43)C

InChI

InChI=1S/C22H21N5O6S/c1-3-32-22(29)17-8-14(9-23)20(24-13(17)2)27-10-15(11-27)21(28)26-34(30,31)12-18-16-6-4-5-7-19(16)33-25-18/h4-8,15H,3,10-12H2,1-2H3,(H,26,28)