3-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 3-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 3-[(5-acetyl-2-ethoxy-phenyl)methyl]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 3-[(5-acetyl-2-ethoxyphenyl)methyl]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 3-(5-acetyl-2-ethoxy-benzyl)-6-keto-2-thioxo-pyrimidin-4-olate Formula: C15H15N2O4S- MolecularWeight: 319.3556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CN2C(=CC(=O)NC2=S)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CN2C(=CC(=O)NC2=S)[O-]

InChI

InChI=1S/C15H16N2O4S/c1-3-21-12-5-4-10(9(2)18)6-11(12)8-17-14(20)7-13(19)16-15(17)22/h4-7,20H,3,8H2,1-2H3,(H,16,19,22)/p-1