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

Systemtic Name: 3-[[4-[(E)-(4-oxidanidyl-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Openeye Name: 3-[[4-[(E)-(1-allyl-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate CAS Name: 3-[[4-[(E)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidene-5-pyrimidinylidene)methyl]phenoxy]methyl]benzoate IUPAC Name: 3-[[4-[(E)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Traditional Name: 3-[[4-[(E)-(1-allyl-6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoate Formula: C22H16N2O5S-2 MolecularWeight: 420.43784

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)[O-])C(=NC1=S)[O-]

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)[O-])/C(=NC1=S)[O-]

InChI

InChI=1S/C22H18N2O5S/c1-2-10-24-20(26)18(19(25)23-22(24)30)12-14-6-8-17(9-7-14)29-13-15-4-3-5-16(11-15)21(27)28/h2-9,11-12H,1,10,13H2,(H,27,28)(H,23,25,30)/p-2/b18-12+