[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate CAS Name: 2-[methyl(2-pyrimidinyl)amino]acetic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate Traditional Name: 2-[methyl(2-pyrimidyl)amino]acetic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)NC1=CC(=CC=C1)SC)C2=NC=CC=N2

Isomeric SMILES

CN(CC(=O)OCC(=O)NC1=CC(=CC=C1)SC)C2=NC=CC=N2

InChI

InChI=1S/C16H18N4O3S/c1-20(16-17-7-4-8-18-16)10-15(22)23-11-14(21)19-12-5-3-6-13(9-12)24-2/h3-9H,10-11H2,1-2H3,(H,19,21)