diethyl 2-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]propanedioate

Systemtic Name: diethyl 2-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]propanedioate Openeye Name: diethyl 2-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]propanedioate CAS Name: 2-[[5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]propanedioate Traditional Name: 2-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]amino]malonic acid diethyl ester Formula: C15H21N3O6S MolecularWeight: 371.40874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC(C(=O)OCC)C(=O)OCC)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC(C(=O)OCC)C(=O)OCC)SC

InChI

InChI=1S/C15H21N3O6S/c1-5-22-12(19)9-8-16-15(25-4)18-11(9)17-10(13(20)23-6-2)14(21)24-7-3/h8,10H,5-7H2,1-4H3,(H,16,17,18)