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

Systemtic Name: methyl 4-[2-[(5-ethyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate Openeye Name: methyl 4-[2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate Traditional Name: 4-[2-[(5-ethyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(NC1=O)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)OC)O

Isomeric SMILES

CCC1=C(N=C(NC1=O)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)OC)O

InChI

InChI=1S/C17H19N3O5S/c1-4-12-14(22)19-17(20-15(12)23)26-9(2)13(21)18-11-7-5-10(6-8-11)16(24)25-3/h5-9H,4H2,1-3H3,(H,18,21)(H2,19,20,22,23)