methyl 4-[2-[(5-acetamido-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(5-acetamido-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-acetamido-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H16N4O6S MolecularWeight: 392.38644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)O

Isomeric SMILES

CC(=O)NC1=C(N=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)O

InChI

InChI=1S/C16H16N4O6S/c1-8(21)17-12-13(23)19-16(20-14(12)24)27-7-11(22)18-10-5-3-9(4-6-10)15(25)26-2/h3-6H,7H2,1-2H3,(H,17,21)(H,18,22)(H2,19,20,23,24)