[2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]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-(2-oxo-1-pyrrolidinyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-keto-2-[4-(2-ketopyrrolidino)phenyl]ethyl] ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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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)N4CCCC4=O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4S/c1-31-22-18(12-24)17(11-19(25-22)14-4-5-14)23(29)30-13-20(27)15-6-8-16(9-7-15)26-10-2-3-21(26)28/h6-9,11,14H,2-5,10,13H2,1H3