ethyl 5-cyano-2-(ethoxymethyl)-6-[3-[(phenylmethyl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-(ethoxymethyl)-6-[3-[(phenylmethyl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-(ethoxymethyl)pyridine-3-carboxylate CAS Name: 5-cyano-2-(ethoxymethyl)-6-[3-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-(ethoxymethyl)pyridine-3-carboxylate Traditional Name: 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-(ethoxymethyl)nicotinic acid ethyl ester Formula: C23H26N4O6S MolecularWeight: 486.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=C(C(=N1)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N)C(=O)OCC

Isomeric SMILES

CCOCC1=C(C=C(C(=N1)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N)C(=O)OCC

InChI

InChI=1S/C23H26N4O6S/c1-3-32-14-20-19(23(29)33-4-2)10-17(11-24)21(25-20)27-12-18(13-27)22(28)26-34(30,31)15-16-8-6-5-7-9-16/h5-10,18H,3-4,12-15H2,1-2H3,(H,26,28)