methyl 4-[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[(4-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(4-fluorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetyl]amino]benzoic acid methyl ester Formula: C21H18FN3O4S MolecularWeight: 427.448723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FN3O4S/c1-29-20(28)14-4-8-16(9-5-14)23-18(26)10-17-11-19(27)25-21(24-17)30-12-13-2-6-15(22)7-3-13/h2-9,11H,10,12H2,1H3,(H,23,26)(H,24,25,27)