[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[4-[4-cyano-2-(2-furyl)oxazol-5-yl]piperazin-1-yl]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[4-[4-cyano-2-(2-furanyl)-5-oxazolyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[4-[4-cyano-2-(2-furyl)oxazol-5-yl]piperazino]-2-keto-ethyl] ester Formula: C21H19N5O5S MolecularWeight: 453.47106

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)N2CCN(CC2)C3=C(N=C(O3)C4=CC=CO4)C#N

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)N2CCN(CC2)C3=C(N=C(O3)C4=CC=CO4)C#N

InChI

InChI=1S/C21H19N5O5S/c1-32-19-14(4-2-6-23-19)21(28)30-13-17(27)25-7-9-26(10-8-25)20-15(12-22)24-18(31-20)16-5-3-11-29-16/h2-6,11H,7-10,13H2,1H3