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

Systemtic Name: ethyl 4-[3-[(4-chlorophenyl)carbonylamino]phenoxy]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-[(4-chlorobenzoyl)amino]phenoxy]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[[(4-chlorophenyl)-oxomethyl]amino]phenoxy]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-chlorobenzoyl)amino]phenoxy]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-[(4-chlorobenzoyl)amino]phenoxy]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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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)Cl)SC

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O4S/c1-3-28-20(27)17-12-23-21(30-2)25-19(17)29-16-6-4-5-15(11-16)24-18(26)13-7-9-14(22)10-8-13/h4-12H,3H2,1-2H3,(H,24,26)