3-[5-[[5-(3-ethanoylphenyl)furan-2-yl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 3-[5-[[5-(3-ethanoylphenyl)furan-2-yl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[[5-(3-acetylphenyl)-2-furyl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[5-(3-acetylphenyl)-2-furanyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[5-(3-acetylphenyl)furan-2-yl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[[5-(3-acetylphenyl)-2-furyl]methylene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C24H16N2O6S MolecularWeight: 460.45864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C24H16N2O6S/c1-13(27)14-4-2-5-15(10-14)20-9-8-18(32-20)12-19-21(28)25-24(33)26(22(19)29)17-7-3-6-16(11-17)23(30)31/h2-12H,1H3,(H,30,31)(H,25,28,33)