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

Systemtic Name: 4-[[(5Z)-5-[(3-ethoxy-5-iodanyl-4-prop-2-ynoxy-phenyl)methylidene]-3-ethyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 4-[[(5Z)-5-[(3-ethoxy-5-iodo-4-prop-2-ynoxy-phenyl)methylene]-3-ethyl-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 4-[[(5Z)-5-[(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)methylidene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 4-[[(5Z)-5-[(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 4-[[(5Z)-5-(3-ethoxy-5-iodo-4-propargyloxy-benzylidene)-3-ethyl-4-keto-thiazolidin-2-ylidene]amino]benzoic acid Formula: C24H21IN2O5S MolecularWeight: 576.40341

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC(=C(C(=C2)I)OCC#C)OCC)SC1=NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN1C(=O)/C(=C/C2=CC(=C(C(=C2)I)OCC#C)OCC)/SC1=NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H21IN2O5S/c1-4-11-32-21-18(25)12-15(13-19(21)31-6-3)14-20-22(28)27(5-2)24(33-20)26-17-9-7-16(8-10-17)23(29)30/h1,7-10,12-14H,5-6,11H2,2-3H3,(H,29,30)/b20-14-,26-24?