[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C15H19N3O4S/c1-11(19)17-6-8-18(9-7-17)13(20)10-22-15(21)12-4-3-5-16-14(12)23-2/h3-5H,6-10H2,1-2H3