2-ethoxy-5-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]benzoate

Systemtic Name: 2-ethoxy-5-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]benzoate Openeye Name: 2-ethoxy-5-[(E)-(4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]benzoate CAS Name: 2-ethoxy-5-[(E)-(4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]benzoate IUPAC Name: 2-ethoxy-5-[(E)-(4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]benzoate Traditional Name: 2-ethoxy-5-[(E)-(6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]benzoate Formula: C14H10N2O5S-2 MolecularWeight: 318.3046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N=C2[O-])C(=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C\2/C(=O)NC(=S)N=C2[O-])C(=O)[O-]

InChI

InChI=1S/C14H12N2O5S/c1-2-21-10-4-3-7(5-8(10)13(19)20)6-9-11(17)15-14(22)16-12(9)18/h3-6H,2H2,1H3,(H,19,20)(H2,15,16,17,18,22)/p-2