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

Systemtic Name: 3-[5-[[5-bromanyl-2-(carboxymethyloxy)phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[[5-bromo-2-(carboxymethyloxy)phenyl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[5-bromo-2-(carboxymethyloxy)phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[5-bromo-2-(carboxymethyloxy)phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[5-bromo-2-(carboxymethyloxy)benzylidene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C20H13BrN2O7S MolecularWeight: 505.29542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrN2O7S/c21-12-4-5-15(30-9-16(24)25)11(6-12)8-14-17(26)22-20(31)23(18(14)27)13-3-1-2-10(7-13)19(28)29/h1-8H,9H2,(H,24,25)(H,28,29)(H,22,26,31)