methyl 2-[2-(5-fluoranyl-6-methylsulfanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(5-fluoranyl-6-methylsulfanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(5-fluoro-6-methylsulfanyl-2-oxo-pyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 2-[[2-[5-fluoro-6-(methylthio)-2-oxo-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(5-fluoro-6-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-[5-fluoro-2-keto-6-(methylthio)pyrimidin-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C15H14FN3O4S MolecularWeight: 351.352763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN2C(=C(C=NC2=O)F)SC

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN2C(=C(C=NC2=O)F)SC

InChI

InChI=1S/C15H14FN3O4S/c1-23-14(21)9-5-3-4-6-11(9)18-12(20)8-19-13(24-2)10(16)7-17-15(19)22/h3-7H,8H2,1-2H3,(H,18,20)