3-[5-[[2-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 3-[5-[[2-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[[2-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[2-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[2-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[2-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzylidene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C27H20BrFN2O6S MolecularWeight: 599.424903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)Br)OCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)Br)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H20BrFN2O6S/c1-2-36-22-12-17(21(28)13-23(22)37-14-15-6-8-18(29)9-7-15)11-20-24(32)30-27(38)31(25(20)33)19-5-3-4-16(10-19)26(34)35/h3-13H,2,14H2,1H3,(H,34,35)(H,30,32,38)