3-[[5-[(3-ethoxy-5-iodanyl-4-methoxy-phenyl)methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid

Systemtic Name: 3-[[5-[(3-ethoxy-5-iodanyl-4-methoxy-phenyl)methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 3-[[5-[(3-ethoxy-5-iodo-4-methoxy-phenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 3-[[5-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 3-[[5-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 3-[[5-(3-ethoxy-5-iodo-4-methoxy-benzylidene)-4-keto-3-methyl-thiazolidin-2-ylidene]amino]benzoic acid Formula: C21H19IN2O5S MolecularWeight: 538.35543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=NC3=CC=CC(=C3)C(=O)O)S2)C)I)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=NC3=CC=CC(=C3)C(=O)O)S2)C)I)OC

InChI

InChI=1S/C21H19IN2O5S/c1-4-29-16-9-12(8-15(22)18(16)28-3)10-17-19(25)24(2)21(30-17)23-14-7-5-6-13(11-14)20(26)27/h5-11H,4H2,1-3H3,(H,26,27)