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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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