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

Systemtic Name: 3-[[5-[(3-bromanyl-4,5-diethoxy-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[5-[(3-bromo-4,5-diethoxy-phenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 3-[[5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 3-[[5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[5-(3-bromo-4,5-diethoxy-benzylidene)-4-keto-2-thiazolin-2-yl]amino]benzoic acid Formula: C21H19BrN2O5S MolecularWeight: 491.35496

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O5S/c1-3-28-16-9-12(8-15(22)18(16)29-4-2)10-17-19(25)24-21(30-17)23-14-7-5-6-13(11-14)20(26)27/h5-11H,3-4H2,1-2H3,(H,26,27)(H,23,24,25)