ethyl 4-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[3-(p-tolylsulfonylamino)phenoxy]pyrimidine-5-carboxylate CAS Name: 4-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[3-(tosylamino)phenoxy]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1OC2=CC=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1OC2=CC=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)SC

InChI

InChI=1S/C21H21N3O5S2/c1-4-28-20(25)18-13-22-21(30-3)23-19(18)29-16-7-5-6-15(12-16)24-31(26,27)17-10-8-14(2)9-11-17/h5-13,24H,4H2,1-3H3