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

Systemtic Name: dimethyl 5-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H14ClN3O5S MolecularWeight: 395.81746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NC(=NC=C2Cl)SC)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NC(=NC=C2Cl)SC)C(=O)OC

InChI

InChI=1S/C16H14ClN3O5S/c1-24-14(22)8-4-9(15(23)25-2)6-10(5-8)19-13(21)12-11(17)7-18-16(20-12)26-3/h4-7H,1-3H3,(H,19,21)