1-(3-ethoxy-3-oxidanylidene-propyl)-2-methylsulfanyl-6-oxidanylidene-5-phenylmethoxy-pyrimidine-4-carboxylic acid

Systemtic Name: 1-(3-ethoxy-3-oxidanylidene-propyl)-2-methylsulfanyl-6-oxidanylidene-5-phenylmethoxy-pyrimidine-4-carboxylic acid Openeye Name: 5-benzyloxy-1-(3-ethoxy-3-oxo-propyl)-2-methylsulfanyl-6-oxo-pyrimidine-4-carboxylic acid CAS Name: 1-(3-ethoxy-3-oxopropyl)-2-(methylthio)-6-oxo-5-phenylmethoxy-4-pyrimidinecarboxylic acid IUPAC Name: 1-(3-ethoxy-3-oxopropyl)-2-methylsulfanyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylic acid Traditional Name: 5-benzoxy-1-(3-ethoxy-3-keto-propyl)-6-keto-2-(methylthio)pyrimidine-4-carboxylic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(=O)C(=C(N=C1SC)C(=O)O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCN1C(=O)C(=C(N=C1SC)C(=O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O6S/c1-3-25-13(21)9-10-20-16(22)15(14(17(23)24)19-18(20)27-2)26-11-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,23,24)