methyl 3-[(5-ethyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-4-[(4-fluoranyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 3-[(5-ethyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-4-[(4-fluoranyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-4-(4-fluoro-3-nitro-anilino)-4-oxo-butanoate CAS Name: 3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-4-(4-fluoro-3-nitroanilino)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-4-(4-fluoro-3-nitroanilino)-4-oxobutanoate Traditional Name: 3-[(5-ethyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-4-(4-fluoro-3-nitro-anilino)-4-keto-butyric acid methyl ester Formula: C17H17FN4O7S MolecularWeight: 440.402883

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(NC1=O)SC(CC(=O)OC)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])O

Isomeric SMILES

CCC1=C(N=C(NC1=O)SC(CC(=O)OC)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])O

InChI

InChI=1S/C17H17FN4O7S/c1-3-9-14(24)20-17(21-15(9)25)30-12(7-13(23)29-2)16(26)19-8-4-5-10(18)11(6-8)22(27)28/h4-6,12H,3,7H2,1-2H3,(H,19,26)(H2,20,21,24,25)