ethyl 5-cyano-2-methyl-6-[3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[3-[(5-isoxazol-3-yl-2-thienyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[3-[[[5-(3-isoxazolyl)-2-thiophenyl]sulfonylamino]-oxomethyl]-1-azetidinyl]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-6-[3-[(5-isoxazol-3-yl-2-thienyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methyl-nicotinic acid ethyl ester Formula: C21H19N5O6S2 MolecularWeight: 501.53546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)C3=CC=C(S3)C4=NOC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)C3=CC=C(S3)C4=NOC=C4)C

InChI

InChI=1S/C21H19N5O6S2/c1-3-31-21(28)15-8-13(9-22)19(23-12(15)2)26-10-14(11-26)20(27)25-34(29,30)18-5-4-17(33-18)16-6-7-32-24-16/h4-8,14H,3,10-11H2,1-2H3,(H,25,27)