methyl 2-[[5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[5-chloro-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]benzoate CAS Name: 2-[[[5-chloro-2-[(4-fluorophenyl)methylthio]-4-pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-chloro-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]benzoate Traditional Name: 2-[[5-chloro-2-[(4-fluorobenzyl)thio]pyrimidine-4-carbonyl]amino]benzoic acid methyl ester Formula: C20H15ClFN3O3S MolecularWeight: 431.867803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H15ClFN3O3S/c1-28-19(27)14-4-2-3-5-16(14)24-18(26)17-15(21)10-23-20(25-17)29-11-12-6-8-13(22)9-7-12/h2-10H,11H2,1H3,(H,24,26)