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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3F

InChI

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