[2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-oxo-2-[[phenyl(2-thienyl)methyl]amino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-keto-2-[[phenyl(2-thienyl)methyl]amino]ethyl] ester Formula: C24H21N3O3S2 MolecularWeight: 463.57184

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC(=O)NC(C3=CC=CC=C3)C4=CC=CS4)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC(=O)NC(C3=CC=CC=C3)C4=CC=CS4)C#N

InChI

InChI=1S/C24H21N3O3S2/c1-31-23-18(13-25)17(12-19(26-23)15-9-10-15)24(29)30-14-21(28)27-22(20-8-5-11-32-20)16-6-3-2-4-7-16/h2-8,11-12,15,22H,9-10,14H2,1H3,(H,27,28)