4-chloranyl-3-[5-[(E)-(1-methyl-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]furan-2-yl]benzoate

Systemtic Name: 4-chloranyl-3-[5-[(E)-(1-methyl-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]furan-2-yl]benzoate Openeye Name: 4-chloro-3-[5-[(E)-(1-methyl-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]-2-furyl]benzoate CAS Name: 4-chloro-3-[5-[(E)-(1-methyl-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]-2-furanyl]benzoate IUPAC Name: 4-chloro-3-[5-[(E)-(1-methyl-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]furan-2-yl]benzoate Traditional Name: 4-chloro-3-[5-[(E)-(6-keto-1-methyl-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]-2-furyl]benzoate Formula: C17H9ClN2O5S-2 MolecularWeight: 388.78176

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)[O-])Cl)C(=NC1=S)[O-]

Isomeric SMILES

CN1C(=O)/C(=C/C2=CC=C(O2)C3=C(C=CC(=C3)C(=O)[O-])Cl)/C(=NC1=S)[O-]

InChI

InChI=1S/C17H11ClN2O5S/c1-20-15(22)11(14(21)19-17(20)26)7-9-3-5-13(25-9)10-6-8(16(23)24)2-4-12(10)18/h2-7H,1H3,(H,23,24)(H,19,21,26)/p-2/b11-7+