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

Systemtic Name: 3-[[2-[(3-cyclohexyl-2-cyclohexylimino-4-oxidanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-thiazolidin-5-ylidene)methyl]-6-methoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[2-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-5-thiazolidinylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[2-[(3-cyclohexyl-2-cyclohexylimino-4-keto-thiazolidin-5-ylidene)methyl]-6-methoxy-phenoxy]methyl]benzoic acid Formula: C31H36N2O5S MolecularWeight: 548.69294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC(=C2)C(=O)O)C=C3C(=O)N(C(=NC4CCCCC4)S3)C5CCCCC5

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC(=C2)C(=O)O)C=C3C(=O)N(C(=NC4CCCCC4)S3)C5CCCCC5

InChI

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