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

Systemtic Name: 3-[[(5Z)-5-[(3,4-diethoxy-5-iodanyl-phenyl)methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 3-[[(5Z)-5-[(3,4-diethoxy-5-iodo-phenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 3-[[(5Z)-5-[(3,4-diethoxy-5-iodophenyl)methylidene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 3-[[(5Z)-5-[(3,4-diethoxy-5-iodophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 3-[[(5Z)-5-(3,4-diethoxy-5-iodo-benzylidene)-4-keto-3-methyl-thiazolidin-2-ylidene]amino]benzoic acid Formula: C22H21IN2O5S MolecularWeight: 552.38201

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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)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=NC3=CC=CC(=C3)C(=O)O)S2)C)I)OCC

InChI

InChI=1S/C22H21IN2O5S/c1-4-29-17-10-13(9-16(23)19(17)30-5-2)11-18-20(26)25(3)22(31-18)24-15-8-6-7-14(12-15)21(27)28/h6-12H,4-5H2,1-3H3,(H,27,28)/b18-11-,24-22?