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

Systemtic Name: methyl 4-[[5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[5-chloro-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[5-chloro-2-[(4-fluorophenyl)methylthio]-4-pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-chloro-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

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