3-[(5E)-5-[[3-ethoxy-4-(2-oxidanidyl-2-oxidanylidene-ethoxy)-5-prop-2-enyl-phenyl]methylidene]-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl]benzoate

Systemtic Name: 3-[(5E)-5-[[3-ethoxy-4-(2-oxidanidyl-2-oxidanylidene-ethoxy)-5-prop-2-enyl-phenyl]methylidene]-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl]benzoate Openeye Name: 3-[(5E)-5-[[3-allyl-5-ethoxy-4-(2-oxido-2-oxo-ethoxy)phenyl]methylene]-4-oxido-6-oxo-2-thioxo-pyrimidin-1-yl]benzoate CAS Name: 3-[(5E)-5-[[3-ethoxy-4-(2-oxido-2-oxoethoxy)-5-prop-2-enylphenyl]methylidene]-4-oxido-6-oxo-2-sulfanylidene-1-pyrimidinyl]benzoate IUPAC Name: 3-[(5E)-5-[[3-ethoxy-4-(2-oxido-2-oxoethoxy)-5-prop-2-enylphenyl]methylidene]-4-oxido-6-oxo-2-sulfanylidenepyrimidin-1-yl]benzoate Traditional Name: 3-[(5E)-5-[3-allyl-5-ethoxy-4-(2-keto-2-oxido-ethoxy)benzylidene]-6-keto-4-oxido-2-thioxo-pyrimidin-1-yl]benzoate Formula: C25H19N2O8S-3 MolecularWeight: 507.49196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC(=O)[O-])CC=C)C=C2C(=NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)[O-])[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC(=O)[O-])CC=C)/C=C/2\C(=NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)[O-])[O-]

InChI

InChI=1S/C25H22N2O8S/c1-3-6-15-9-14(11-19(34-4-2)21(15)35-13-20(28)29)10-18-22(30)26-25(36)27(23(18)31)17-8-5-7-16(12-17)24(32)33/h3,5,7-12H,1,4,6,13H2,2H3,(H,28,29)(H,32,33)(H,26,30,36)/p-3/b18-10+