ethyl 5-cyano-2-methyl-6-[3-[(4-nitrophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-[(4-nitrophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[3-[(4-nitrophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[3-[[(4-nitrophenyl)methylsulfonylamino]-oxomethyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[3-[(4-nitrophenyl)methylsulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[3-[(4-nitrobenzyl)sulfonylcarbamoyl]azetidin-1-yl]nicotinic acid ethyl ester Formula: C21H21N5O7S MolecularWeight: 487.48574

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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=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H21N5O7S/c1-3-33-21(28)18-8-15(9-22)19(23-13(18)2)25-10-16(11-25)20(27)24-34(31,32)12-14-4-6-17(7-5-14)26(29)30/h4-8,16H,3,10-12H2,1-2H3,(H,24,27)