ethyl 4-[2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[(4-fluorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(4-fluorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]acetyl]amino]benzoic acid ethyl ester Formula: C23H22FN3O4S MolecularWeight: 455.501883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C23H22FN3O4S/c1-3-31-22(30)16-6-10-18(11-7-16)26-20(28)12-19-14(2)25-23(27-21(19)29)32-13-15-4-8-17(24)9-5-15/h4-11H,3,12-13H2,1-2H3,(H,26,28)(H,25,27,29)