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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-[(5-pyridin-2-ylthiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[3-[[5-(2-pyridyl)-2-thienyl]sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[3-[oxo-[[5-(2-pyridinyl)-2-thiophenyl]sulfonylamino]methyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[3-[(5-pyridin-2-ylthiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[3-[[5-(2-pyridyl)-2-thienyl]sulfonylcarbamoyl]azetidin-1-yl]nicotinic acid ethyl ester Formula: C23H21N5O5S2 MolecularWeight: 511.57334

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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=CC=C(S3)C4=CC=CC=N4)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=CC=CC=N4)C

InChI

InChI=1S/C23H21N5O5S2/c1-3-33-23(30)17-10-15(11-24)21(26-14(17)2)28-12-16(13-28)22(29)27-35(31,32)20-8-7-19(34-20)18-6-4-5-9-25-18/h4-10,16H,3,12-13H2,1-2H3,(H,27,29)