6-methoxycarbonyl-2-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-methoxycarbonyl-2-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanyl-pyrimidin-4-olate Openeye Name: 2-(2-benzyloxy-2-oxo-ethyl)sulfanyl-6-methoxycarbonyl-pyrimidin-4-olate CAS Name: 6-methoxycarbonyl-2-[(2-oxo-2-phenylmethoxyethyl)thio]-4-pyrimidinolate IUPAC Name: 6-methoxycarbonyl-2-(2-oxo-2-phenylmethoxyethyl)sulfanylpyrimidin-4-olate Traditional Name: 2-[(2-benzoxy-2-keto-ethyl)thio]-6-carbomethoxy-pyrimidin-4-olate Formula: C15H13N2O5S- MolecularWeight: 333.33912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC(=N1)SCC(=O)OCC2=CC=CC=C2)[O-]

Isomeric SMILES

COC(=O)C1=CC(=NC(=N1)SCC(=O)OCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C15H14N2O5S/c1-21-14(20)11-7-12(18)17-15(16-11)23-9-13(19)22-8-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,16,17,18)/p-1