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

Systemtic Name: ethyl 5-cyano-2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-6-[3-[(phenylmethyl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate CAS Name: 5-cyano-6-[3-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-azetidinyl]-2-[(2-oxo-1-pyrrolidinyl)methyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate Traditional Name: 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-[(2-ketopyrrolidino)methyl]nicotinic acid ethyl ester Formula: C25H27N5O6S MolecularWeight: 525.57678

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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=CC=CC=C3)CN4CCCC4=O

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)CN4CCCC4=O

InChI

InChI=1S/C25H27N5O6S/c1-2-36-25(33)20-11-18(12-26)23(27-21(20)15-29-10-6-9-22(29)31)30-13-19(14-30)24(32)28-37(34,35)16-17-7-4-3-5-8-17/h3-5,7-8,11,19H,2,6,9-10,13-16H2,1H3,(H,28,32)