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

Systemtic Name: 4-[[5-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 4-[[5-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 4-[[5-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 4-[[5-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 4-[[5-(4-allyloxy-3-bromo-5-methoxy-benzylidene)-4-keto-2-thiazolin-2-yl]amino]benzoic acid Formula: C21H17BrN2O5S MolecularWeight: 489.33908

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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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O5S/c1-3-8-29-18-15(22)9-12(10-16(18)28-2)11-17-19(25)24-21(30-17)23-14-6-4-13(5-7-14)20(26)27/h3-7,9-11H,1,8H2,2H3,(H,26,27)(H,23,24,25)