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

Systemtic Name: 3-[5-[(2-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[(2-bromo-4-ethoxy-5-methoxy-phenyl)methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-(2-bromo-4-ethoxy-5-methoxy-benzylidene)-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C21H17BrN2O6S MolecularWeight: 505.33848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)Br)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)Br)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C21H17BrN2O6S/c1-3-30-17-10-15(22)12(9-16(17)29-2)8-14-18(25)23-21(31)24(19(14)26)13-6-4-5-11(7-13)20(27)28/h4-10H,3H2,1-2H3,(H,27,28)(H,23,25,31)