ethyl 4-[[4-(2-iodanylphenyl)carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[4-(2-iodanylphenyl)carbonyloxyphenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(2-iodobenzoyl)oxyanilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[4-[(2-iodophenyl)-oxomethoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-iodobenzoyl)oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-iodobenzoyl)oxyanilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18IN3O4S MolecularWeight: 535.35479

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3I)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3I)SC

InChI

InChI=1S/C21H18IN3O4S/c1-3-28-19(26)16-12-23-21(30-2)25-18(16)24-13-8-10-14(11-9-13)29-20(27)15-6-4-5-7-17(15)22/h4-12H,3H2,1-2H3,(H,23,24,25)