dimethyl 2-(2-methoxy-2-oxidanylidene-1-phenylsulfanyl-ethyl)pyrimidine-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(2-methoxy-2-oxidanylidene-1-phenylsulfanyl-ethyl)pyrimidine-4,5-dicarboxylate Openeye Name: dimethyl 2-(2-methoxy-2-oxo-1-phenylsulfanyl-ethyl)pyrimidine-4,5-dicarboxylate CAS Name: 2-[2-methoxy-2-oxo-1-(phenylthio)ethyl]pyrimidine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(2-methoxy-2-oxo-1-phenylsulfanylethyl)pyrimidine-4,5-dicarboxylate Traditional Name: 2-[2-keto-2-methoxy-1-(phenylthio)ethyl]pyrimidine-4,5-dicarboxylic acid dimethyl ester Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(N=C1C(=O)OC)C(C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CN=C(N=C1C(=O)OC)C(C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C17H16N2O6S/c1-23-15(20)11-9-18-14(19-12(11)16(21)24-2)13(17(22)25-3)26-10-7-5-4-6-8-10/h4-9,13H,1-3H3