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

Systemtic Name: dimethyl 5-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 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-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)SC

InChI

InChI=1S/C18H19N3O6S/c1-5-27-17(24)13-9-19-18(28-4)21-14(13)20-12-7-10(15(22)25-2)6-11(8-12)16(23)26-3/h6-9H,5H2,1-4H3,(H,19,20,21)