[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)C3=NC=CC=N3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)C3=NC=CC=N3

InChI

InChI=1S/C20H21N5O3S/c21-9-13-29-17-8-2-1-6-15(17)24-18(26)14-28-19(27)16-7-3-4-12-25(16)20-22-10-5-11-23-20/h1-2,5-6,8,10-11,16H,3-4,7,12-14H2,(H,24,26)