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

Systemtic Name: 5-[(4-ethoxy-3-ethoxycarbonyl-phenyl)methyl]-2-methylsulfanyl-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 5-[(4-ethoxy-3-ethoxycarbonyl-phenyl)methyl]-2-methylsulfanyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-[(4-ethoxy-3-ethoxycarbonylphenyl)methyl]-2-(methylthio)-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 5-[(4-ethoxy-3-ethoxycarbonylphenyl)methyl]-2-methylsulfanyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-(3-carbethoxy-4-ethoxy-benzyl)-6-keto-2-(methylthio)-1H-pyrimidin-4-olate Formula: C17H19N2O5S- MolecularWeight: 363.40816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SC)[O-])C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC2=C(N=C(NC2=O)SC)[O-])C(=O)OCC

InChI

InChI=1S/C17H20N2O5S/c1-4-23-13-7-6-10(8-11(13)16(22)24-5-2)9-12-14(20)18-17(25-3)19-15(12)21/h6-8H,4-5,9H2,1-3H3,(H2,18,19,20,21)/p-1