ethyl 6-[3-(1-benzothiophen-3-ylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[3-(1-benzothiophen-3-ylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[3-(benzothiophen-3-ylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[3-[(1-benzothiophen-3-ylsulfonylamino)-oxomethyl]-1-azetidinyl]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(1-benzothiophen-3-ylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[3-(benzothiophen-3-ylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C22H20N4O5S2 MolecularWeight: 484.548

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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)C3=CSC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)C3=CSC4=CC=CC=C43)C

InChI

InChI=1S/C22H20N4O5S2/c1-3-31-22(28)17-8-14(9-23)20(24-13(17)2)26-10-15(11-26)21(27)25-33(29,30)19-12-32-18-7-5-4-6-16(18)19/h4-8,12,15H,3,10-11H2,1-2H3,(H,25,27)