[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2CCCCN2C3=NC=CC=N3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2CCCCN2C3=NC=CC=N3

InChI

InChI=1S/C19H22N4O3S/c1-27-15-7-4-6-14(12-15)22-17(24)13-26-18(25)16-8-2-3-11-23(16)19-20-9-5-10-21-19/h4-7,9-10,12,16H,2-3,8,11,13H2,1H3,(H,22,24)