2-chloranyl-4-[5-[(E)-[1-(2-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid

Systemtic Name: 2-chloranyl-4-[5-[(E)-[1-(2-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 2-chloro-4-[5-[(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic acid CAS Name: 2-chloro-4-[5-[(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-4-[5-[(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-4-[5-[(E)-[1-(2-fluorophenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic acid Formula: C22H12ClFN2O5S MolecularWeight: 470.857483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)C(=O)NC2=S)F

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)/C(=O)NC2=S)F

InChI

InChI=1S/C22H12ClFN2O5S/c23-15-9-11(5-7-13(15)21(29)30)18-8-6-12(31-18)10-14-19(27)25-22(32)26(20(14)28)17-4-2-1-3-16(17)24/h1-10H,(H,29,30)(H,25,27,32)/b14-10+