4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxo-1H-pyrimidine-6-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thioxo-1H-pyrimidine-6-carboxylate Formula: C13H9N2O4S- MolecularWeight: 289.28656

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NC(=S)NC(=C3)C(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NC(=S)NC(=C3)C(=O)[O-]

InChI

InChI=1S/C13H10N2O4S/c16-12(17)9-6-8(14-13(20)15-9)7-1-2-10-11(5-7)19-4-3-18-10/h1-2,5-6H,3-4H2,(H,16,17)(H,14,15,20)/p-1