4-[[5-[(3-bromanyl-4,5-dimethoxy-phenyl)methylidene]-3-ethyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid

Systemtic Name: 4-[[5-[(3-bromanyl-4,5-dimethoxy-phenyl)methylidene]-3-ethyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 4-[[5-[(3-bromo-4,5-dimethoxy-phenyl)methylene]-3-ethyl-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 4-[[5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 4-[[5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 4-[[5-(3-bromo-4,5-dimethoxy-benzylidene)-3-ethyl-4-keto-thiazolidin-2-ylidene]amino]benzoic acid Formula: C21H19BrN2O5S MolecularWeight: 491.35496

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OC)OC)SC1=NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OC)OC)SC1=NC3=CC=C(C=C3)C(=O)O

InChI

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