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

Systemtic Name: 3-[[(5Z)-5-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[(5Z)-5-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methylene]-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 3-[[(5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 3-[[(5Z)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[(5Z)-5-(4-hydroxy-3-iodo-5-methoxy-benzylidene)-4-keto-2-thiazolin-2-yl]amino]benzoic acid Formula: C18H13IN2O5S MolecularWeight: 496.27569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N=C(S2)NC3=CC=CC(=C3)C(=O)O)I)O

InChI

InChI=1S/C18H13IN2O5S/c1-26-13-6-9(5-12(19)15(13)22)7-14-16(23)21-18(27-14)20-11-4-2-3-10(8-11)17(24)25/h2-8,22H,1H3,(H,24,25)(H,20,21,23)/b14-7-