methyl (2R)-2-[[6-acetamido-5-[(4-fluorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate

Systemtic Name: methyl (2R)-2-[[6-acetamido-5-[(4-fluorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: methyl (2R)-2-[[6-acetamido-5-[(4-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[6-acetamido-5-[[(4-fluorophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[6-acetamido-5-[(4-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[[6-acetamido-5-[(4-fluorobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]propionic acid methyl ester Formula: C17H17FN4O5S MolecularWeight: 408.404083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@H](C(=O)OC)SC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H17FN4O5S/c1-8(16(26)27-3)28-17-21-13(19-9(2)23)12(15(25)22-17)20-14(24)10-4-6-11(18)7-5-10/h4-8H,1-3H3,(H,20,24)(H2,19,21,22,23,25)/t8-/m1/s1