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

Systemtic Name: dimethyl 5-[(2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-methylsulfanyl-4-phenyl-pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(methylthio)-4-phenyl-5-pyrimidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-methylsulfanyl-4-phenylpyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(methylthio)-4-phenyl-pyrimidine-5-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC)C(=O)OC

InChI

InChI=1S/C22H19N3O5S/c1-29-20(27)14-9-15(21(28)30-2)11-16(10-14)24-19(26)17-12-23-22(31-3)25-18(17)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,24,26)