4-[[4-[[1-(2-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[[1-(2-fluorophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[[1-(2-fluorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[[1-(2-fluorophenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoic acid Formula: C26H19FN2O6S MolecularWeight: 506.502263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F)OCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H19FN2O6S/c1-34-22-13-16(8-11-21(22)35-14-15-6-9-17(10-7-15)25(32)33)12-18-23(30)28-26(36)29(24(18)31)20-5-3-2-4-19(20)27/h2-13H,14H2,1H3,(H,32,33)(H,28,30,36)