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

Systemtic Name: ethyl 4-[3-[(4-methylphenyl)carbonylamino]phenoxy]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-[(4-methylbenzoyl)amino]phenoxy]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[[(4-methylphenyl)-oxomethyl]amino]phenoxy]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-methylbenzoyl)amino]phenoxy]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[3-(p-toluoylamino)phenoxy]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S/c1-4-28-21(27)18-13-23-22(30-3)25-20(18)29-17-7-5-6-16(12-17)24-19(26)15-10-8-14(2)9-11-15/h5-13H,4H2,1-3H3,(H,24,26)