[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate CAS Name: 2-[methyl(2-pyrimidinyl)amino]acetic acid [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate Traditional Name: 2-[methyl(2-pyrimidyl)amino]acetic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C)C3=NC=CC=N3

Isomeric SMILES

CN(CC(=O)OCC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C)C3=NC=CC=N3

InChI

InChI=1S/C19H22N4O5S/c1-22(19-20-8-4-9-21-19)12-18(25)28-13-17(24)15-6-7-16-14(11-15)5-3-10-23(16)29(2,26)27/h4,6-9,11H,3,5,10,12-13H2,1-2H3