4-[[(5E)-5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 4-[[(5E)-5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 4-[[(5E)-5-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 4-[[(5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 4-[[(5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 4-[[(5E)-5-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-4-keto-2-thiazolin-2-yl]amino]benzoic acid Formula: C18H13BrN2O5S MolecularWeight: 449.27522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=C(C=C3)C(=O)O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/2\C(=O)N=C(S2)NC3=CC=C(C=C3)C(=O)O)Br)O

InChI

InChI=1S/C18H13BrN2O5S/c1-26-13-7-9(6-12(19)15(13)22)8-14-16(23)21-18(27-14)20-11-4-2-10(3-5-11)17(24)25/h2-8,22H,1H3,(H,24,25)(H,20,21,23)/b14-8+