1-(2-methoxy-2-oxidanylidene-ethyl)-2-methylsulfonyl-6-oxidanylidene-5-phenylmethoxy-pyrimidine-4-carboxylic acid

Systemtic Name: 1-(2-methoxy-2-oxidanylidene-ethyl)-2-methylsulfonyl-6-oxidanylidene-5-phenylmethoxy-pyrimidine-4-carboxylic acid Openeye Name: 5-benzyloxy-1-(2-methoxy-2-oxo-ethyl)-2-methylsulfonyl-6-oxo-pyrimidine-4-carboxylic acid CAS Name: 1-(2-methoxy-2-oxoethyl)-2-methylsulfonyl-6-oxo-5-phenylmethoxy-4-pyrimidinecarboxylic acid IUPAC Name: 1-(2-methoxy-2-oxoethyl)-2-methylsulfonyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylic acid Traditional Name: 5-benzoxy-6-keto-1-(2-keto-2-methoxy-ethyl)-2-mesyl-pyrimidine-4-carboxylic acid Formula: C16H16N2O8S MolecularWeight: 396.37184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C(=C(N=C1S(=O)(=O)C)C(=O)O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CN1C(=O)C(=C(N=C1S(=O)(=O)C)C(=O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O8S/c1-25-11(19)8-18-14(20)13(26-9-10-6-4-3-5-7-10)12(15(21)22)17-16(18)27(2,23)24/h3-7H,8-9H2,1-2H3,(H,21,22)