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

Systemtic Name: 3-[5-(furan-3-ylmethylidene)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-(3-furylmethylene)-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-(3-furanylmethylidene)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-(furan-3-ylmethylidene)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-(3-furfurylidene)-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C16H10N2O5S MolecularWeight: 342.326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C(=CC3=COC=C3)C(=O)NC2=S)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C(=CC3=COC=C3)C(=O)NC2=S)C(=O)O

InChI

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