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

Systemtic Name: ethyl 6-[3-[(5-chloranylthiophen-3-yl)sulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[3-[(5-chloro-3-thienyl)sulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[3-[[(5-chloro-3-thiophenyl)sulfonylamino]-oxomethyl]-1-azetidinyl]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[(5-chlorothiophen-3-yl)sulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[3-[(5-chloro-3-thienyl)sulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C18H17ClN4O5S2 MolecularWeight: 468.93438

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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=CSC(=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)C3=CSC(=C3)Cl)C

InChI

InChI=1S/C18H17ClN4O5S2/c1-3-28-18(25)14-4-11(6-20)16(21-10(14)2)23-7-12(8-23)17(24)22-30(26,27)13-5-15(19)29-9-13/h4-5,9,12H,3,7-8H2,1-2H3,(H,22,24)