[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCOCC4)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCOCC4)C#N

InChI

InChI=1S/C23H24N4O4S/c1-32-22-19(13-24)18(12-20(26-22)15-2-3-15)23(29)31-14-21(28)25-16-4-6-17(7-5-16)27-8-10-30-11-9-27/h4-7,12,15H,2-3,8-11,14H2,1H3,(H,25,28)