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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-[2-oxidanylidene-2-[(phenylmethyl)sulfonylamino]ethyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[3-[2-(benzylsulfonylamino)-2-oxo-ethyl]azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[3-[2-oxo-2-[(phenylmethyl)sulfonylamino]ethyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[2-(benzylsulfonylamino)-2-oxoethyl]azetidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[3-[2-(benzylsulfonylamino)-2-keto-ethyl]azetidin-1-yl]-5-cyano-2-methyl-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)CC(=O)NS(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O5S/c1-3-31-22(28)19-10-18(11-23)21(24-15(19)2)26-12-17(13-26)9-20(27)25-32(29,30)14-16-7-5-4-6-8-16/h4-8,10,17H,3,9,12-14H2,1-2H3,(H,25,27)