5-[[2-methoxy-4-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]phenoxy]methyl]furan-2-carboxylate

Systemtic Name: 5-[[2-methoxy-4-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]phenoxy]methyl]furan-2-carboxylate Openeye Name: 5-[[2-methoxy-4-[(E)-(4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]phenoxy]methyl]furan-2-carboxylate CAS Name: 5-[[2-methoxy-4-[(E)-(4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]phenoxy]methyl]-2-furancarboxylate IUPAC Name: 5-[[2-methoxy-4-[(E)-(4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]phenoxy]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(E)-(6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]-2-methoxy-phenoxy]methyl]-2-furoate Formula: C18H12N2O7S-2 MolecularWeight: 400.36208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N=C2[O-])OCC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=S)N=C2[O-])OCC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C18H14N2O7S/c1-25-14-7-9(6-11-15(21)19-18(28)20-16(11)22)2-4-12(14)26-8-10-3-5-13(27-10)17(23)24/h2-7H,8H2,1H3,(H,23,24)(H2,19,20,21,22,28)/p-2