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

Systemtic Name: 3-[[5-[(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[5-[(3-bromo-5-ethoxy-4-hydroxy-phenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 3-[[5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 3-[[5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[5-(3-bromo-5-ethoxy-4-hydroxy-benzylidene)-4-keto-2-thiazolin-2-yl]amino]benzoic acid Formula: C19H15BrN2O5S MolecularWeight: 463.3018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=CC(=C3)C(=O)O)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=CC(=C3)C(=O)O)Br)O

InChI

InChI=1S/C19H15BrN2O5S/c1-2-27-14-7-10(6-13(20)16(14)23)8-15-17(24)22-19(28-15)21-12-5-3-4-11(9-12)18(25)26/h3-9,23H,2H2,1H3,(H,25,26)(H,21,22,24)