5-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: 5-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]amino]isophthalate Formula: C16H13N3O6S-2 MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])SC

InChI

InChI=1S/C16H15N3O6S/c1-3-25-15(24)11-7-17-16(26-2)19-12(11)18-10-5-8(13(20)21)4-9(6-10)14(22)23/h4-7H,3H2,1-2H3,(H,20,21)(H,22,23)(H,17,18,19)/p-2