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

Systemtic Name: ethyl 6-[3-[(5-bromanylthiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[3-[(5-bromo-2-thienyl)sulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[3-[[(5-bromo-2-thiophenyl)sulfonylamino]-oxomethyl]-1-azetidinyl]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[(5-bromothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[3-[(5-bromo-2-thienyl)sulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C18H17BrN4O5S2 MolecularWeight: 513.38538

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4O5S2/c1-3-28-18(25)13-6-11(7-20)16(21-10(13)2)23-8-12(9-23)17(24)22-30(26,27)15-5-4-14(19)29-15/h4-6,12H,3,8-9H2,1-2H3,(H,22,24)