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

Systemtic Name: 3-[5-[(E)-(4-oxidanidyl-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-5-ylidene)methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(E)-(1-allyl-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]-2-furyl]benzoate CAS Name: 3-[5-[(E)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidene-5-pyrimidinylidene)methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(E)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-ylidene)methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(E)-(1-allyl-6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]-2-furyl]benzoate Formula: C19H12N2O5S-2 MolecularWeight: 380.37398

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)[O-])C(=NC1=S)[O-]

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)C(=O)[O-])/C(=NC1=S)[O-]

InChI

InChI=1S/C19H14N2O5S/c1-2-8-21-17(23)14(16(22)20-19(21)27)10-13-6-7-15(26-13)11-4-3-5-12(9-11)18(24)25/h2-7,9-10H,1,8H2,(H,24,25)(H,20,22,27)/p-2/b14-10+