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

Systemtic Name: methyl 4-[2-[(5-acetamido-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate Openeye Name: methyl 4-[2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate Traditional Name: 4-[2-[(5-acetamido-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC(=C(C(=O)N2)NC(=O)C)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC(=C(C(=O)N2)NC(=O)C)O

InChI

InChI=1S/C17H18N4O6S/c1-8(13(23)19-11-6-4-10(5-7-11)16(26)27-3)28-17-20-14(24)12(15(25)21-17)18-9(2)22/h4-8H,1-3H3,(H,18,22)(H,19,23)(H2,20,21,24,25)