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

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate CAS Name: 2-[methyl(2-pyrimidinyl)amino]acetic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate Traditional Name: 2-[methyl(2-pyrimidyl)amino]acetic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)C3=NC=CC=N3

Isomeric SMILES

CN(CC(=O)OCC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)C3=NC=CC=N3

InChI

InChI=1S/C21H20N4O3S/c1-25(21-22-12-7-13-23-21)14-20(27)28-15-19(26)24-17-10-5-6-11-18(17)29-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H,24,26)