ethyl 1-(3-methoxy-3-oxidanylidene-propyl)-2-methylsulfonyl-6-oxidanylidene-5-phenylmethoxy-pyrimidine-4-carboxylate

Systemtic Name: ethyl 1-(3-methoxy-3-oxidanylidene-propyl)-2-methylsulfonyl-6-oxidanylidene-5-phenylmethoxy-pyrimidine-4-carboxylate Openeye Name: ethyl 5-benzyloxy-1-(3-methoxy-3-oxo-propyl)-2-methylsulfonyl-6-oxo-pyrimidine-4-carboxylate CAS Name: 1-(3-methoxy-3-oxopropyl)-2-methylsulfonyl-6-oxo-5-phenylmethoxy-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methoxy-3-oxopropyl)-2-methylsulfonyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate Traditional Name: 5-benzoxy-6-keto-1-(3-keto-3-methoxy-propyl)-2-mesyl-pyrimidine-4-carboxylic acid ethyl ester Formula: C19H22N2O8S MolecularWeight: 438.45158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)N(C(=N1)S(=O)(=O)C)CCC(=O)OC)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=O)N(C(=N1)S(=O)(=O)C)CCC(=O)OC)OCC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O8S/c1-4-28-18(24)15-16(29-12-13-8-6-5-7-9-13)17(23)21(11-10-14(22)27-2)19(20-15)30(3,25)26/h5-9H,4,10-12H2,1-3H3