ethyl 4-[2-[(4-fluorophenyl)carbonylamino]phenyl]sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-[(4-fluorophenyl)carbonylamino]phenyl]sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-[(4-fluorobenzoyl)amino]phenyl]sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]thio]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-fluorobenzoyl)amino]phenyl]sulfanyl-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[[2-[(4-fluorobenzoyl)amino]phenyl]thio]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18FN3O3S2 MolecularWeight: 443.514323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1SC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1SC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F)SC

InChI

InChI=1S/C21H18FN3O3S2/c1-3-28-20(27)15-12-23-21(29-2)25-19(15)30-17-7-5-4-6-16(17)24-18(26)13-8-10-14(22)11-9-13/h4-12H,3H2,1-2H3,(H,24,26)