[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C23H23N3O5S2 MolecularWeight: 485.57582

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C#N

InChI

InChI=1S/C23H23N3O5S2/c1-32-22-19(13-24)18(12-20(25-22)15-4-5-15)23(28)31-14-21(27)16-6-8-17(9-7-16)33(29,30)26-10-2-3-11-26/h6-9,12,15H,2-5,10-11,14H2,1H3