ethyl 2-methylsulfanyl-4-[[3-[2-(4-nitrophenoxy)ethanoyloxy]phenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[3-[2-(4-nitrophenoxy)ethanoyloxy]phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[3-[2-(4-nitrophenoxy)acetyl]oxyanilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[3-[2-(4-nitrophenoxy)-1-oxoethoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[3-[2-(4-nitrophenoxy)acetyl]oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[3-[2-(4-nitrophenoxy)acetyl]oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H20N4O7S MolecularWeight: 484.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])SC

InChI

InChI=1S/C22H20N4O7S/c1-3-31-21(28)18-12-23-22(34-2)25-20(18)24-14-5-4-6-17(11-14)33-19(27)13-32-16-9-7-15(8-10-16)26(29)30/h4-12H,3,13H2,1-2H3,(H,23,24,25)