(2-phenyl-1,3-oxazol-4-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: (2-phenyl-1,3-oxazol-4-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: (2-phenyloxazol-4-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid (2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-oxazol-4-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid (2-phenyloxazol-4-yl)methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC3=COC(=N3)C4=CC=CC=C4)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC3=COC(=N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C21H17N3O3S/c1-28-20-17(10-22)16(9-18(24-20)13-7-8-13)21(25)27-12-15-11-26-19(23-15)14-5-3-2-4-6-14/h2-6,9,11,13H,7-8,12H2,1H3