3-[(5E)-4-oxidanidyl-6-oxidanylidene-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-pyrimidin-1-yl]benzoate

Systemtic Name: 3-[(5E)-4-oxidanidyl-6-oxidanylidene-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-pyrimidin-1-yl]benzoate Openeye Name: 3-[(5E)-4-oxido-6-oxo-5-[[5-(1-piperidyl)-2-furyl]methylene]-2-thioxo-pyrimidin-1-yl]benzoate CAS Name: 3-[(5E)-4-oxido-6-oxo-5-[[5-(1-piperidinyl)-2-furanyl]methylidene]-2-sulfanylidene-1-pyrimidinyl]benzoate IUPAC Name: 3-[(5E)-4-oxido-6-oxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidenepyrimidin-1-yl]benzoate Traditional Name: 3-[(5E)-6-keto-4-oxido-5-[(5-piperidino-2-furyl)methylene]-2-thioxo-pyrimidin-1-yl]benzoate Formula: C21H17N3O5S-2 MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(O2)C=C3C(=NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)[O-])[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC=C(O2)/C=C/3\C(=NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)[O-])[O-]

InChI

InChI=1S/C21H19N3O5S/c25-18-16(12-15-7-8-17(29-15)23-9-2-1-3-10-23)19(26)24(21(30)22-18)14-6-4-5-13(11-14)20(27)28/h4-8,11-12H,1-3,9-10H2,(H,27,28)(H,22,25,30)/p-2/b16-12+