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

Systemtic Name: 3-[[(5Z)-5-[(5-bromanyl-3-ethoxy-2-oxidanyl-phenyl)methylidene]-3-ethyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 3-[[(5Z)-5-[(5-bromo-3-ethoxy-2-hydroxy-phenyl)methylene]-3-ethyl-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 3-[[(5Z)-5-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 3-[[(5Z)-5-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 3-[[(5Z)-5-(5-bromo-3-ethoxy-2-hydroxy-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(=CC(=C2O)OCC)Br)SC1=NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCN1C(=O)/C(=C/C2=CC(=CC(=C2O)OCC)Br)/SC1=NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H19BrN2O5S/c1-3-24-19(26)17(10-13-8-14(22)11-16(18(13)25)29-4-2)30-21(24)23-15-7-5-6-12(9-15)20(27)28/h5-11,25H,3-4H2,1-2H3,(H,27,28)/b17-10-,23-21?