4-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-iodanyl-6-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-iodanyl-6-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-thiazolidin-5-ylidene)methyl]-2-iodo-6-methoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-5-thiazolidinylidene)methyl]-2-iodo-6-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-iodo-6-methoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-keto-thiazolidin-5-ylidene)methyl]-2-iodo-6-methoxy-phenoxy]methyl]benzoic acid Formula: C31H35IN2O5S MolecularWeight: 674.58947

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=NC3CCCCC3)S2)C4CCCCC4)I)OCC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=NC3CCCCC3)S2)C4CCCCC4)I)OCC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C31H35IN2O5S/c1-38-26-17-21(16-25(32)28(26)39-19-20-12-14-22(15-13-20)30(36)37)18-27-29(35)34(24-10-6-3-7-11-24)31(40-27)33-23-8-4-2-5-9-23/h12-18,23-24H,2-11,19H2,1H3,(H,36,37)