ethyl 6-[3-[[4,5-bis(chloranyl)thiophen-2-yl]sulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[3-[[4,5-bis(chloranyl)thiophen-2-yl]sulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[3-[(4,5-dichloro-2-thienyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[3-[[(4,5-dichloro-2-thiophenyl)sulfonylamino]-oxomethyl]-1-azetidinyl]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[3-[(4,5-dichlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[3-[(4,5-dichloro-2-thienyl)sulfonylcarbamoyl]azetidin-1-yl]-2-methyl-nicotinic acid ethyl ester Formula: C18H16Cl2N4O5S2 MolecularWeight: 503.37944

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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)Cl)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N4O5S2/c1-3-29-18(26)12-4-10(6-21)16(22-9(12)2)24-7-11(8-24)17(25)23-31(27,28)14-5-13(19)15(20)30-14/h4-5,11H,3,7-8H2,1-2H3,(H,23,25)