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

Systemtic Name: 3-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-5-thiazolidinylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-keto-thiazolidin-5-ylidene)methyl]-2-methoxy-phenoxy]methyl]benzoic acid Formula: C31H36N2O5S MolecularWeight: 548.69294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36N2O5S/c1-37-27-18-21(15-16-26(27)38-20-22-9-8-10-23(17-22)30(35)36)19-28-29(34)33(25-13-6-3-7-14-25)31(39-28)32-24-11-4-2-5-12-24/h8-10,15-19,24-25H,2-7,11-14,20H2,1H3,(H,35,36)