5-[(4-methoxy-3-methoxycarbonyl-phenyl)methyl]-2-methylsulfanyl-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 5-[(4-methoxy-3-methoxycarbonyl-phenyl)methyl]-2-methylsulfanyl-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 5-[(4-methoxy-3-methoxycarbonyl-phenyl)methyl]-2-methylsulfanyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-[(4-methoxy-3-methoxycarbonylphenyl)methyl]-2-(methylthio)-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 5-[(4-methoxy-3-methoxycarbonylphenyl)methyl]-2-methylsulfanyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-(3-carbomethoxy-4-methoxy-benzyl)-6-keto-2-(methylthio)-1H-pyrimidin-4-olate Formula: C15H15N2O5S- MolecularWeight: 335.355

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SC)[O-])C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SC)[O-])C(=O)OC

InChI

InChI=1S/C15H16N2O5S/c1-21-11-5-4-8(6-9(11)14(20)22-2)7-10-12(18)16-15(23-3)17-13(10)19/h4-6H,7H2,1-3H3,(H2,16,17,18,19)/p-1