4-[5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate

Systemtic Name: 4-[5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate Openeye Name: 4-[5-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-furanyl]benzoate IUPAC Name: 4-[5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzoate Formula: C16H9N2O5S- MolecularWeight: 341.31806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O)C(=O)[O-]

InChI

InChI=1S/C16H10N2O5S/c19-13-11(14(20)18-16(24)17-13)7-10-5-6-12(23-10)8-1-3-9(4-2-8)15(21)22/h1-7H,(H,21,22)(H2,17,18,19,20,24)/p-1