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

Systemtic Name: 2-chloranyl-4-[5-[(E)-(4-oxidanidyl-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-5-ylidene)methyl]furan-2-yl]benzoate Openeye Name: 4-[5-[(E)-(1-allyl-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]-2-furyl]-2-chloro-benzoate CAS Name: 2-chloro-4-[5-[(E)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidene-5-pyrimidinylidene)methyl]-2-furanyl]benzoate IUPAC Name: 2-chloro-4-[5-[(E)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-ylidene)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-(1-allyl-6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]-2-furyl]-2-chloro-benzoate Formula: C19H11ClN2O5S-2 MolecularWeight: 414.81904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClN2O5S/c1-2-7-22-17(24)13(16(23)21-19(22)28)9-11-4-6-15(27-11)10-3-5-12(18(25)26)14(20)8-10/h2-6,8-9H,1,7H2,(H,25,26)(H,21,23,28)/p-2/b13-9+